molstar 3.3.0 → 3.5.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (905) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/docking-viewer/viewport.js +1 -1
  8. package/lib/apps/viewer/app.d.ts +7 -6
  9. package/lib/apps/viewer/app.js +2 -0
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  13. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  14. package/lib/cli/cif2bcif/converter.js +1 -1
  15. package/lib/cli/cif2bcif/index.js +4 -4
  16. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  17. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  18. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  19. package/lib/commonjs/apps/viewer/app.js +24 -22
  20. package/lib/commonjs/apps/viewer/index.js +1 -1
  21. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  22. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  23. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  24. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  25. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  26. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  27. package/lib/commonjs/cli/cif2bcif/index.js +12 -12
  28. package/lib/commonjs/cli/cifschema/index.js +27 -27
  29. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  30. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  31. package/lib/commonjs/cli/state-docs/index.js +2 -2
  32. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  33. package/lib/commonjs/cli/structure-info/model.js +15 -15
  34. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  35. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  36. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  37. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  38. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  39. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  40. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  41. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  42. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  43. package/lib/commonjs/examples/lighting/index.js +6 -6
  44. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  45. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  46. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  47. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  48. package/lib/commonjs/examples/task.js +15 -15
  49. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  50. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  51. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  52. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  53. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  54. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  55. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  56. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  57. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  58. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  59. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  60. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  61. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  62. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  63. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  64. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  65. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  66. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  67. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  68. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  69. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
  70. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  71. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
  72. package/lib/commonjs/extensions/g3d/data.js +6 -6
  73. package/lib/commonjs/extensions/g3d/format.js +14 -14
  74. package/lib/commonjs/extensions/g3d/model.js +4 -4
  75. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  76. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  77. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  78. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  79. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  80. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  81. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  82. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  83. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  84. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  85. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  86. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  87. package/lib/commonjs/extensions/model-export/export.js +4 -4
  88. package/lib/commonjs/extensions/model-export/index.js +1 -1
  89. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  90. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  91. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  92. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  93. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  94. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  95. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  96. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  97. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  98. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  99. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  100. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  101. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  102. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  103. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  104. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  105. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -5
  106. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  107. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  108. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  109. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  110. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  111. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  112. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  113. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  114. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  115. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  116. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  117. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  118. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  119. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  120. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  121. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  122. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  123. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  124. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  125. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  126. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  127. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  128. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  129. package/lib/commonjs/mol-data/db/column.js +2 -2
  130. package/lib/commonjs/mol-data/db/table.js +1 -1
  131. package/lib/commonjs/mol-data/db.js +1 -1
  132. package/lib/commonjs/mol-data/generic.js +3 -3
  133. package/lib/commonjs/mol-data/index.js +4 -4
  134. package/lib/commonjs/mol-data/int/interval.js +1 -1
  135. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  136. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  137. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  138. package/lib/commonjs/mol-data/util.js +7 -7
  139. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  140. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  142. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  143. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  144. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  145. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  146. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  147. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  148. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  149. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  150. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  151. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  152. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  153. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  154. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  155. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  156. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  157. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
  158. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  159. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  160. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  161. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  162. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  163. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  164. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  165. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  166. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  167. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  168. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  169. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  170. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  171. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  172. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  173. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  174. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  175. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  176. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  177. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  178. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  179. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  180. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  182. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  183. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  184. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  185. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  186. package/lib/commonjs/mol-gl/webgl/context.js +5 -5
  187. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  188. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  189. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  190. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  191. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  192. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  193. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  194. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  195. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  196. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  197. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  199. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  200. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  201. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  202. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  203. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  204. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  205. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  206. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  207. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  208. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  209. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  210. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  211. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  213. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  214. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  215. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  216. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  217. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  218. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  219. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  220. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  221. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  222. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  223. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  224. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  225. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  226. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  227. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  228. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  229. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  230. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  231. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  232. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  233. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  234. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  235. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  236. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  237. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  238. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  239. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
  240. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  241. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
  242. package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
  243. package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
  244. package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
  245. package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
  246. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
  247. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
  248. package/lib/commonjs/mol-math/geometry.js +8 -8
  249. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  250. package/lib/commonjs/mol-math/graph.js +1 -1
  251. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  252. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  253. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  254. package/lib/commonjs/mol-model/sequence.js +1 -1
  255. package/lib/commonjs/mol-model/shape.js +1 -1
  256. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  257. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  258. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  259. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  260. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  261. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  262. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  263. package/lib/commonjs/mol-model/structure/model.js +3 -3
  264. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  265. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  266. package/lib/commonjs/mol-model/structure/query.js +6 -6
  267. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  268. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  269. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  270. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  271. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  272. package/lib/commonjs/mol-model/structure/structure/structure.js +9 -6
  273. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  274. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  275. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
  276. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
  277. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  278. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  279. package/lib/commonjs/mol-model/structure/structure/unit.js +5 -22
  280. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  281. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  282. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  283. package/lib/commonjs/mol-model/structure.js +6 -6
  284. package/lib/commonjs/mol-model/volume.js +2 -2
  285. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  286. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  287. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  288. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  289. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  290. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  291. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  292. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
  293. package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
  294. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
  295. package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
  296. package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
  297. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  298. package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
  299. package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
  300. package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
  301. package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
  302. package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
  303. package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
  304. package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
  305. package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
  306. package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
  307. package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
  308. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -2
  309. package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
  310. package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
  311. package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
  312. package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
  313. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  314. package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
  315. package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
  316. package/lib/commonjs/mol-model-formats/structure/top.d.ts +16 -0
  317. package/lib/commonjs/mol-model-formats/structure/top.js +189 -0
  318. package/lib/commonjs/mol-model-formats/structure/trr.d.ts +9 -0
  319. package/lib/commonjs/mol-model-formats/structure/trr.js +46 -0
  320. package/lib/commonjs/mol-model-formats/structure/util.d.ts +2 -2
  321. package/lib/commonjs/mol-model-formats/structure/util.js +19 -20
  322. package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -2
  323. package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
  324. package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -2
  325. package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
  326. package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
  327. package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
  328. package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
  329. package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -2
  330. package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -5
  331. package/lib/commonjs/mol-model-props/common/custom-property.js +1 -1
  332. package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -6
  333. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -2
  334. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -5
  335. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -4
  336. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -3
  337. package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -2
  338. package/lib/commonjs/mol-model-props/computed/interactions/common.js +1 -1
  339. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  340. package/lib/commonjs/mol-model-props/computed/interactions/features.js +1 -1
  341. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +3 -3
  342. package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +3 -3
  343. package/lib/commonjs/mol-model-props/computed/interactions.js +4 -4
  344. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +10 -4
  345. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +12 -7
  346. package/lib/commonjs/mol-model-props/computed/representations/interactions.js +1 -1
  347. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -2
  348. package/lib/commonjs/mol-model-props/computed/secondary-structure.js +7 -7
  349. package/lib/commonjs/mol-model-props/computed/valence-model.js +4 -4
  350. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/property.js +2 -2
  351. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +12 -3
  352. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +2 -2
  353. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -3
  354. package/lib/commonjs/mol-plugin/animation-loop.js +2 -2
  355. package/lib/commonjs/mol-plugin/behavior/behavior.js +5 -5
  356. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +2 -2
  357. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +1 -1
  358. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +1 -1
  359. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +1 -1
  360. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +1 -1
  361. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +1 -1
  362. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +1 -1
  363. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/structure-info.js +2 -2
  364. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +3 -3
  365. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +11 -11
  366. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +12 -12
  367. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  368. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.js +1 -1
  369. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +16 -16
  370. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +10 -10
  371. package/lib/commonjs/mol-plugin/behavior/static/state.js +6 -6
  372. package/lib/commonjs/mol-plugin/behavior.js +8 -8
  373. package/lib/commonjs/mol-plugin/command.js +2 -2
  374. package/lib/commonjs/mol-plugin/context.d.ts +2 -1
  375. package/lib/commonjs/mol-plugin/context.js +9 -8
  376. package/lib/commonjs/mol-plugin/layout.js +2 -2
  377. package/lib/commonjs/mol-plugin/spec.js +1 -1
  378. package/lib/commonjs/mol-plugin/state.js +5 -5
  379. package/lib/commonjs/mol-plugin/util/task-manager.js +4 -4
  380. package/lib/commonjs/mol-plugin/util/toast.js +1 -1
  381. package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +17 -17
  382. package/lib/commonjs/mol-plugin-state/actions/file.d.ts +1 -1
  383. package/lib/commonjs/mol-plugin-state/actions/file.js +94 -61
  384. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +11 -2
  385. package/lib/commonjs/mol-plugin-state/actions/structure.js +190 -20
  386. package/lib/commonjs/mol-plugin-state/actions/volume.js +5 -4
  387. package/lib/commonjs/mol-plugin-state/actions.js +3 -3
  388. package/lib/commonjs/mol-plugin-state/animation/built-in/assembly-unwind.js +2 -2
  389. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +3 -3
  390. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +3 -3
  391. package/lib/commonjs/mol-plugin-state/animation/built-in/explode-units.js +4 -4
  392. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.js +2 -2
  393. package/lib/commonjs/mol-plugin-state/animation/built-in/spin-structure.js +5 -5
  394. package/lib/commonjs/mol-plugin-state/animation/built-in/state-interpolation.js +2 -2
  395. package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +5 -5
  396. package/lib/commonjs/mol-plugin-state/builder/data.js +2 -2
  397. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +16 -16
  398. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +28 -28
  399. package/lib/commonjs/mol-plugin-state/builder/structure/representation.js +2 -2
  400. package/lib/commonjs/mol-plugin-state/builder/structure.js +7 -7
  401. package/lib/commonjs/mol-plugin-state/component.js +1 -1
  402. package/lib/commonjs/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
  403. package/lib/commonjs/mol-plugin-state/formats/coordinates.js +70 -0
  404. package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +3 -3
  405. package/lib/commonjs/mol-plugin-state/formats/registry.js +13 -8
  406. package/lib/commonjs/mol-plugin-state/formats/shape.js +2 -2
  407. package/lib/commonjs/mol-plugin-state/formats/topology.d.ts +73 -0
  408. package/lib/commonjs/mol-plugin-state/formats/topology.js +87 -0
  409. package/lib/commonjs/mol-plugin-state/formats/trajectory.js +6 -6
  410. package/lib/commonjs/mol-plugin-state/formats/volume.js +21 -21
  411. package/lib/commonjs/mol-plugin-state/helpers/root-structure.js +15 -15
  412. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +7 -7
  413. package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +2 -1
  414. package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +11 -11
  415. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +3 -3
  416. package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +11 -11
  417. package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +11 -11
  418. package/lib/commonjs/mol-plugin-state/manager/animation.js +17 -17
  419. package/lib/commonjs/mol-plugin-state/manager/camera.js +1 -1
  420. package/lib/commonjs/mol-plugin-state/manager/interactivity.js +6 -6
  421. package/lib/commonjs/mol-plugin-state/manager/snapshots.js +14 -14
  422. package/lib/commonjs/mol-plugin-state/manager/structure/component.js +26 -26
  423. package/lib/commonjs/mol-plugin-state/manager/structure/focus.js +2 -2
  424. package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +1 -1
  425. package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.js +8 -8
  426. package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +21 -21
  427. package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -3
  428. package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy.js +1 -1
  429. package/lib/commonjs/mol-plugin-state/objects.d.ts +47 -1
  430. package/lib/commonjs/mol-plugin-state/objects.js +46 -30
  431. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -0
  432. package/lib/commonjs/mol-plugin-state/transforms/data.js +93 -41
  433. package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +14 -2
  434. package/lib/commonjs/mol-plugin-state/transforms/model.js +163 -54
  435. package/lib/commonjs/mol-plugin-state/transforms/representation.js +77 -77
  436. package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -2
  437. package/lib/commonjs/mol-plugin-state/transforms/volume.js +16 -16
  438. package/lib/commonjs/mol-plugin-state/transforms.js +6 -6
  439. package/lib/commonjs/mol-plugin-ui/base.js +5 -5
  440. package/lib/commonjs/mol-plugin-ui/context.js +1 -1
  441. package/lib/commonjs/mol-plugin-ui/controls/action-menu.js +14 -14
  442. package/lib/commonjs/mol-plugin-ui/controls/color.js +7 -7
  443. package/lib/commonjs/mol-plugin-ui/controls/common.js +16 -16
  444. package/lib/commonjs/mol-plugin-ui/controls/icons.js +70 -70
  445. package/lib/commonjs/mol-plugin-ui/controls/legend.js +7 -7
  446. package/lib/commonjs/mol-plugin-ui/controls/line-graph/line-graph-component.js +3 -3
  447. package/lib/commonjs/mol-plugin-ui/controls/line-graph/point-component.js +2 -2
  448. package/lib/commonjs/mol-plugin-ui/controls/parameters.js +94 -94
  449. package/lib/commonjs/mol-plugin-ui/controls/screenshot.js +5 -5
  450. package/lib/commonjs/mol-plugin-ui/controls/slider.js +16 -16
  451. package/lib/commonjs/mol-plugin-ui/controls.js +16 -16
  452. package/lib/commonjs/mol-plugin-ui/custom/volume.js +16 -16
  453. package/lib/commonjs/mol-plugin-ui/index.js +4 -4
  454. package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +8 -1
  455. package/lib/commonjs/mol-plugin-ui/left-panel.js +40 -19
  456. package/lib/commonjs/mol-plugin-ui/plugin.js +17 -17
  457. package/lib/commonjs/mol-plugin-ui/sequence/chain.js +1 -1
  458. package/lib/commonjs/mol-plugin-ui/sequence/element.js +1 -1
  459. package/lib/commonjs/mol-plugin-ui/sequence/hetero.js +1 -1
  460. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  461. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +6 -6
  462. package/lib/commonjs/mol-plugin-ui/sequence.js +9 -9
  463. package/lib/commonjs/mol-plugin-ui/spec.js +1 -1
  464. package/lib/commonjs/mol-plugin-ui/state/actions.js +2 -2
  465. package/lib/commonjs/mol-plugin-ui/state/animation.js +2 -2
  466. package/lib/commonjs/mol-plugin-ui/state/apply-action.js +1 -1
  467. package/lib/commonjs/mol-plugin-ui/state/common.js +12 -12
  468. package/lib/commonjs/mol-plugin-ui/state/snapshots.js +29 -29
  469. package/lib/commonjs/mol-plugin-ui/state/tree.js +19 -19
  470. package/lib/commonjs/mol-plugin-ui/state/update-transform.js +3 -3
  471. package/lib/commonjs/mol-plugin-ui/structure/components.js +19 -19
  472. package/lib/commonjs/mol-plugin-ui/structure/focus.js +4 -4
  473. package/lib/commonjs/mol-plugin-ui/structure/generic.js +6 -6
  474. package/lib/commonjs/mol-plugin-ui/structure/measurements.js +13 -13
  475. package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +11 -11
  476. package/lib/commonjs/mol-plugin-ui/structure/selection.js +13 -13
  477. package/lib/commonjs/mol-plugin-ui/structure/source.js +12 -12
  478. package/lib/commonjs/mol-plugin-ui/structure/superposition.js +20 -20
  479. package/lib/commonjs/mol-plugin-ui/structure/volume.js +12 -12
  480. package/lib/commonjs/mol-plugin-ui/task.js +8 -8
  481. package/lib/commonjs/mol-plugin-ui/toast.js +6 -6
  482. package/lib/commonjs/mol-plugin-ui/viewport/canvas.js +5 -5
  483. package/lib/commonjs/mol-plugin-ui/viewport/help.js +14 -14
  484. package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +8 -8
  485. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -6
  486. package/lib/commonjs/mol-plugin-ui/viewport.js +7 -7
  487. package/lib/commonjs/mol-repr/representation.js +4 -4
  488. package/lib/commonjs/mol-repr/shape/loci/angle.js +9 -9
  489. package/lib/commonjs/mol-repr/shape/loci/common.js +1 -1
  490. package/lib/commonjs/mol-repr/shape/loci/dihedral.js +14 -14
  491. package/lib/commonjs/mol-repr/shape/loci/distance.js +5 -5
  492. package/lib/commonjs/mol-repr/shape/loci/label.js +3 -3
  493. package/lib/commonjs/mol-repr/shape/loci/orientation.js +4 -4
  494. package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -2
  495. package/lib/commonjs/mol-repr/shape/model/unitcell.js +2 -2
  496. package/lib/commonjs/mol-repr/shape/representation.js +2 -2
  497. package/lib/commonjs/mol-repr/structure/complex-representation.js +2 -2
  498. package/lib/commonjs/mol-repr/structure/complex-visual.js +12 -12
  499. package/lib/commonjs/mol-repr/structure/params.js +8 -8
  500. package/lib/commonjs/mol-repr/structure/registry.js +1 -1
  501. package/lib/commonjs/mol-repr/structure/representation/backbone.js +1 -1
  502. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +1 -1
  503. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +1 -1
  504. package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
  505. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +1 -1
  506. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
  507. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +1 -1
  508. package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
  509. package/lib/commonjs/mol-repr/structure/representation/line.js +1 -1
  510. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
  511. package/lib/commonjs/mol-repr/structure/representation/orientation.js +1 -1
  512. package/lib/commonjs/mol-repr/structure/representation/point.js +1 -1
  513. package/lib/commonjs/mol-repr/structure/representation/putty.js +1 -1
  514. package/lib/commonjs/mol-repr/structure/representation/spacefill.js +1 -1
  515. package/lib/commonjs/mol-repr/structure/representation.js +1 -1
  516. package/lib/commonjs/mol-repr/structure/units-representation.js +2 -2
  517. package/lib/commonjs/mol-repr/structure/units-visual.js +16 -16
  518. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
  519. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +21 -11
  520. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
  521. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +11 -6
  522. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +17 -7
  523. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +9 -4
  524. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +11 -2
  525. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +1 -1
  526. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +11 -2
  527. package/lib/commonjs/mol-repr/structure/visual/element-cross.js +1 -1
  528. package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +1 -1
  529. package/lib/commonjs/mol-repr/structure/visual/element-point.js +23 -4
  530. package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +1 -1
  531. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +1 -1
  532. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +8 -9
  533. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
  534. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +20 -20
  535. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  536. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +7 -8
  537. package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -1
  538. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +6 -6
  539. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  540. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +7 -7
  541. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +1 -1
  542. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +1 -1
  543. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +1 -1
  544. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +1 -1
  545. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +1 -1
  546. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  547. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +1 -1
  548. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +1 -1
  549. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
  550. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  551. package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
  552. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -28
  553. package/lib/commonjs/mol-repr/structure/visual/util/element.js +36 -2
  554. package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +13 -13
  555. package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +13 -3
  556. package/lib/commonjs/mol-repr/structure/visual/util/link.js +55 -6
  557. package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +5 -5
  558. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +4 -4
  559. package/lib/commonjs/mol-repr/util.js +1 -1
  560. package/lib/commonjs/mol-repr/volume/direct-volume.js +3 -3
  561. package/lib/commonjs/mol-repr/volume/isosurface.js +9 -9
  562. package/lib/commonjs/mol-repr/volume/registry.js +1 -1
  563. package/lib/commonjs/mol-repr/volume/representation.js +5 -5
  564. package/lib/commonjs/mol-repr/volume/slice.js +4 -4
  565. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  566. package/lib/commonjs/mol-script/language/parser.js +7 -4
  567. package/lib/commonjs/mol-script/language/symbol-table/internal.js +1 -1
  568. package/lib/commonjs/mol-script/language/symbol-table/structure-query.js +1 -1
  569. package/lib/commonjs/mol-script/runtime/query/compiler.js +1 -1
  570. package/lib/commonjs/mol-script/script/mol-script/symbols.js +1 -1
  571. package/lib/commonjs/mol-state/action.js +1 -1
  572. package/lib/commonjs/mol-state/index.js +8 -8
  573. package/lib/commonjs/mol-state/state/builder.js +2 -2
  574. package/lib/commonjs/mol-state/state/selection.js +1 -1
  575. package/lib/commonjs/mol-state/state.js +21 -21
  576. package/lib/commonjs/mol-state/transform.js +4 -4
  577. package/lib/commonjs/mol-state/transformer.js +1 -1
  578. package/lib/commonjs/mol-task/execution/observable.js +5 -5
  579. package/lib/commonjs/mol-task/task.js +3 -3
  580. package/lib/commonjs/mol-task/util/chunked.js +2 -2
  581. package/lib/commonjs/mol-task/util/multistep.js +1 -1
  582. package/lib/commonjs/mol-task/util/scheduler.d.ts +2 -2
  583. package/lib/commonjs/mol-task/util/scheduler.js +8 -8
  584. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  585. package/lib/commonjs/mol-theme/color/chain-id.js +1 -1
  586. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  587. package/lib/commonjs/mol-theme/color/entity-id.js +1 -1
  588. package/lib/commonjs/mol-theme/color/entity-source.js +2 -2
  589. package/lib/commonjs/mol-theme/color/hydrophobicity.js +2 -2
  590. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  591. package/lib/commonjs/mol-theme/color/operator-hkl.js +2 -2
  592. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  593. package/lib/commonjs/mol-theme/color/polymer-id.js +2 -2
  594. package/lib/commonjs/mol-theme/color/polymer-index.js +2 -2
  595. package/lib/commonjs/mol-theme/color/unit-index.js +2 -2
  596. package/lib/commonjs/mol-theme/label.js +6 -6
  597. package/lib/commonjs/mol-theme/theme.js +3 -3
  598. package/lib/commonjs/mol-util/assets.js +7 -7
  599. package/lib/commonjs/mol-util/color/distinct.js +1 -1
  600. package/lib/commonjs/mol-util/color/palette.js +3 -3
  601. package/lib/commonjs/mol-util/color/scale.js +2 -2
  602. package/lib/commonjs/mol-util/data-source.js +14 -13
  603. package/lib/commonjs/mol-util/file-info.d.ts +1 -3
  604. package/lib/commonjs/mol-util/file-info.js +2 -10
  605. package/lib/commonjs/mol-util/graphql-client.js +4 -4
  606. package/lib/commonjs/mol-util/index.d.ts +1 -0
  607. package/lib/commonjs/mol-util/index.js +8 -2
  608. package/lib/commonjs/mol-util/input/input-observer.js +6 -6
  609. package/lib/commonjs/mol-util/make-dir.js +1 -1
  610. package/lib/commonjs/mol-util/material.js +2 -2
  611. package/lib/commonjs/mol-util/monadic-parser.js +2 -2
  612. package/lib/commonjs/mol-util/param-definition.js +7 -7
  613. package/lib/commonjs/mol-util/read.js +2 -2
  614. package/lib/commonjs/mol-util/retry-if.js +2 -2
  615. package/lib/commonjs/mol-util/string.js +1 -1
  616. package/lib/commonjs/mol-util/zip/deflate.js +4 -3
  617. package/lib/commonjs/mol-util/zip/inflate.js +2 -2
  618. package/lib/commonjs/mol-util/zip/zip.d.ts +7 -1
  619. package/lib/commonjs/mol-util/zip/zip.js +21 -16
  620. package/lib/commonjs/servers/common/file-handle.js +1 -1
  621. package/lib/commonjs/servers/common/swagger-ui/index.js +1 -1
  622. package/lib/commonjs/servers/model/config.d.ts +2 -2
  623. package/lib/commonjs/servers/model/config.js +5 -5
  624. package/lib/commonjs/servers/model/preprocess/converter.js +2 -2
  625. package/lib/commonjs/servers/model/preprocess/master.js +3 -3
  626. package/lib/commonjs/servers/model/preprocess/parallel.js +6 -6
  627. package/lib/commonjs/servers/model/preprocess/preprocess.js +4 -4
  628. package/lib/commonjs/servers/model/preprocess.js +1 -1
  629. package/lib/commonjs/servers/model/properties/providers/pdbe.js +8 -8
  630. package/lib/commonjs/servers/model/properties/providers/wwpdb.js +12 -12
  631. package/lib/commonjs/servers/model/property-provider.js +3 -3
  632. package/lib/commonjs/servers/model/query.js +1 -1
  633. package/lib/commonjs/servers/model/server/api-local.js +2 -2
  634. package/lib/commonjs/servers/model/server/api-schema.js +2 -2
  635. package/lib/commonjs/servers/model/server/api-web.js +5 -5
  636. package/lib/commonjs/servers/model/server/api.js +6 -6
  637. package/lib/commonjs/servers/model/server/query.js +15 -15
  638. package/lib/commonjs/servers/model/server/structure-wrapper.js +21 -21
  639. package/lib/commonjs/servers/model/server.js +2 -2
  640. package/lib/commonjs/servers/model/utils/fetch-props-pdbe.js +6 -6
  641. package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -3
  642. package/lib/commonjs/servers/model/utils/writer.js +3 -3
  643. package/lib/commonjs/servers/plugin-state/config.js +1 -1
  644. package/lib/commonjs/servers/plugin-state/index.js +6 -6
  645. package/lib/commonjs/servers/volume/common/binary-schema.js +1 -1
  646. package/lib/commonjs/servers/volume/common/data-format.js +3 -3
  647. package/lib/commonjs/servers/volume/common/file.js +8 -8
  648. package/lib/commonjs/servers/volume/config.js +6 -6
  649. package/lib/commonjs/servers/volume/pack/format/ccp4.js +4 -4
  650. package/lib/commonjs/servers/volume/pack/format/dsn6.js +4 -4
  651. package/lib/commonjs/servers/volume/pack/format.js +3 -3
  652. package/lib/commonjs/servers/volume/pack/main.js +13 -13
  653. package/lib/commonjs/servers/volume/pack/sampling.js +13 -13
  654. package/lib/commonjs/servers/volume/pack/writer.js +2 -2
  655. package/lib/commonjs/servers/volume/pack.js +1 -1
  656. package/lib/commonjs/servers/volume/query.js +4 -4
  657. package/lib/commonjs/servers/volume/server/algebra/box.js +1 -1
  658. package/lib/commonjs/servers/volume/server/api.js +8 -8
  659. package/lib/commonjs/servers/volume/server/local-api.js +8 -8
  660. package/lib/commonjs/servers/volume/server/query/compose.js +8 -8
  661. package/lib/commonjs/servers/volume/server/query/execute.js +10 -10
  662. package/lib/commonjs/servers/volume/server/query/identify.js +2 -2
  663. package/lib/commonjs/servers/volume/server/web-api.js +7 -7
  664. package/lib/commonjs/servers/volume/server.js +2 -2
  665. package/lib/examples/alpha-orbitals/controls.js +2 -2
  666. package/lib/examples/alpha-orbitals/index.html +61 -61
  667. package/lib/examples/basic-wrapper/controls.js +1 -1
  668. package/lib/examples/basic-wrapper/index.html +137 -137
  669. package/lib/examples/lighting/index.html +88 -88
  670. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  671. package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
  672. package/lib/extensions/cellpack/model.js +4 -2
  673. package/lib/extensions/cellpack/state.js +2 -2
  674. package/lib/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  675. package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
  676. package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
  677. package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
  678. package/lib/extensions/geo-export/ui.js +2 -2
  679. package/lib/extensions/model-export/ui.js +2 -2
  680. package/lib/extensions/mp4-export/ui.js +2 -2
  681. package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -3
  682. package/lib/extensions/rcsb/validation-report/representation.js +19 -2
  683. package/lib/extensions/zenodo/index.d.ts +7 -0
  684. package/lib/extensions/zenodo/index.js +32 -0
  685. package/lib/extensions/zenodo/ui.d.ts +61 -0
  686. package/lib/extensions/zenodo/ui.js +303 -0
  687. package/lib/mol-canvas3d/camera.js +2 -1
  688. package/lib/mol-canvas3d/helper/camera-helper.js +1 -1
  689. package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
  690. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  691. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  692. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  693. package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  694. package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  695. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  696. package/lib/mol-geo/geometry/text/text-builder.js +2 -1
  697. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  698. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
  699. package/lib/mol-gl/shader-code.js +2 -1
  700. package/lib/mol-gl/webgl/buffer.js +2 -3
  701. package/lib/mol-gl/webgl/context.d.ts +1 -1
  702. package/lib/mol-gl/webgl/context.js +2 -2
  703. package/lib/mol-io/common/binary-cif/classifier.js +3 -2
  704. package/lib/mol-io/common/binary-cif/decoder.js +4 -3
  705. package/lib/mol-io/common/io-buffer.d.ts +206 -0
  706. package/lib/mol-io/common/io-buffer.js +405 -0
  707. package/lib/mol-io/common/netcdf/reader.d.ts +78 -0
  708. package/lib/mol-io/common/netcdf/reader.js +456 -0
  709. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  710. package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
  711. package/lib/mol-io/reader/nctraj/parser.js +97 -0
  712. package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
  713. package/lib/mol-io/reader/prmtop/parser.js +168 -0
  714. package/lib/mol-io/reader/top/parser.d.ts +37 -0
  715. package/lib/mol-io/reader/top/parser.js +299 -0
  716. package/lib/mol-io/reader/trr/parser.d.ts +22 -0
  717. package/lib/mol-io/reader/trr/parser.js +142 -0
  718. package/lib/mol-io/writer/cif/encoder.js +2 -1
  719. package/lib/mol-math/geometry/common.d.ts +2 -1
  720. package/lib/mol-math/geometry/common.js +1 -1
  721. package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  722. package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
  723. package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  724. package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
  725. package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
  726. package/lib/mol-math/geometry/gaussian-density.js +1 -1
  727. package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
  728. package/lib/mol-math/geometry/molecular-surface.js +2 -2
  729. package/lib/mol-math/geometry/primitives/box3d.js +2 -1
  730. package/lib/mol-math/geometry/primitives/sphere3d.js +12 -6
  731. package/lib/mol-model/sequence/sequence.js +2 -1
  732. package/lib/mol-model/structure/model/types/saccharides.d.ts +8 -0
  733. package/lib/mol-model/structure/model/types/saccharides.js +8 -0
  734. package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  735. package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  736. package/lib/mol-model/structure/structure/structure.js +4 -1
  737. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
  738. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +4 -2
  739. package/lib/mol-model/structure/structure/unit.js +1 -18
  740. package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  741. package/lib/mol-model-formats/structure/basic/atomic.js +1 -14
  742. package/lib/mol-model-formats/structure/basic/parser.d.ts +1 -1
  743. package/lib/mol-model-formats/structure/basic/parser.js +1 -1
  744. package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
  745. package/lib/mol-model-formats/structure/basic/schema.js +7 -2
  746. package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
  747. package/lib/mol-model-formats/structure/basic/util.js +24 -1
  748. package/lib/mol-model-formats/structure/cif-core.js +4 -4
  749. package/lib/mol-model-formats/structure/common/component.js +5 -1
  750. package/lib/mol-model-formats/structure/cube.js +3 -3
  751. package/lib/mol-model-formats/structure/gro.js +3 -1
  752. package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
  753. package/lib/mol-model-formats/structure/mmcif.js +4 -2
  754. package/lib/mol-model-formats/structure/mol.js +3 -3
  755. package/lib/mol-model-formats/structure/mol2.js +4 -4
  756. package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
  757. package/lib/mol-model-formats/structure/nctraj.js +56 -0
  758. package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
  759. package/lib/mol-model-formats/structure/pdb.js +5 -3
  760. package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
  761. package/lib/mol-model-formats/structure/prmtop.js +144 -0
  762. package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
  763. package/lib/mol-model-formats/structure/psf.js +3 -1
  764. package/lib/mol-model-formats/structure/top.d.ts +16 -0
  765. package/lib/mol-model-formats/structure/top.js +186 -0
  766. package/lib/mol-model-formats/structure/trr.d.ts +9 -0
  767. package/lib/mol-model-formats/structure/trr.js +42 -0
  768. package/lib/mol-model-formats/structure/util.d.ts +2 -2
  769. package/lib/mol-model-formats/structure/util.js +19 -20
  770. package/lib/mol-model-formats/structure/xyz.js +2 -2
  771. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +9 -3
  772. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +10 -5
  773. package/lib/mol-model-props/integrative/cross-link-restraint/representation.js +10 -1
  774. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  775. package/lib/mol-plugin/context.d.ts +2 -1
  776. package/lib/mol-plugin/context.js +4 -3
  777. package/lib/mol-plugin/spec.js +1 -1
  778. package/lib/mol-plugin/version.js +2 -2
  779. package/lib/mol-plugin-state/actions/file.d.ts +1 -1
  780. package/lib/mol-plugin-state/actions/file.js +88 -55
  781. package/lib/mol-plugin-state/actions/structure.d.ts +11 -2
  782. package/lib/mol-plugin-state/actions/structure.js +174 -4
  783. package/lib/mol-plugin-state/actions/volume.js +3 -2
  784. package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
  785. package/lib/mol-plugin-state/formats/coordinates.js +67 -0
  786. package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
  787. package/lib/mol-plugin-state/formats/registry.js +13 -8
  788. package/lib/mol-plugin-state/formats/topology.d.ts +73 -0
  789. package/lib/mol-plugin-state/formats/topology.js +84 -0
  790. package/lib/mol-plugin-state/helpers/root-structure.js +1 -1
  791. package/lib/mol-plugin-state/helpers/structure-component.js +2 -1
  792. package/lib/mol-plugin-state/manager/snapshots.js +4 -4
  793. package/lib/mol-plugin-state/objects.d.ts +47 -1
  794. package/lib/mol-plugin-state/objects.js +17 -1
  795. package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
  796. package/lib/mol-plugin-state/transforms/data.js +61 -9
  797. package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
  798. package/lib/mol-plugin-state/transforms/model.js +112 -3
  799. package/lib/mol-plugin-ui/base.js +1 -1
  800. package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
  801. package/lib/mol-plugin-ui/controls/color.js +3 -3
  802. package/lib/mol-plugin-ui/controls/common.js +10 -10
  803. package/lib/mol-plugin-ui/controls/icons.js +70 -70
  804. package/lib/mol-plugin-ui/controls/legend.js +3 -3
  805. package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -1
  806. package/lib/mol-plugin-ui/controls/parameters.js +51 -51
  807. package/lib/mol-plugin-ui/controls/screenshot.js +2 -2
  808. package/lib/mol-plugin-ui/controls/slider.js +5 -5
  809. package/lib/mol-plugin-ui/controls.js +7 -7
  810. package/lib/mol-plugin-ui/custom/volume.js +4 -4
  811. package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
  812. package/lib/mol-plugin-ui/left-panel.js +33 -12
  813. package/lib/mol-plugin-ui/plugin.js +10 -10
  814. package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
  815. package/lib/mol-plugin-ui/sequence.js +5 -5
  816. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  817. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  818. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  819. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  820. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  821. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  822. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  823. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  824. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  825. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  826. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  827. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  828. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +128 -128
  829. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  830. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  831. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  832. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  833. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  834. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  835. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  836. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  837. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  838. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  839. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  840. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  841. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  842. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  843. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  844. package/lib/mol-plugin-ui/state/actions.js +1 -1
  845. package/lib/mol-plugin-ui/state/animation.js +1 -1
  846. package/lib/mol-plugin-ui/state/common.js +7 -7
  847. package/lib/mol-plugin-ui/state/snapshots.js +9 -9
  848. package/lib/mol-plugin-ui/state/tree.js +14 -14
  849. package/lib/mol-plugin-ui/state/update-transform.js +1 -1
  850. package/lib/mol-plugin-ui/structure/components.js +10 -10
  851. package/lib/mol-plugin-ui/structure/focus.js +1 -1
  852. package/lib/mol-plugin-ui/structure/generic.js +4 -4
  853. package/lib/mol-plugin-ui/structure/measurements.js +8 -8
  854. package/lib/mol-plugin-ui/structure/quick-styles.js +2 -2
  855. package/lib/mol-plugin-ui/structure/selection.js +7 -7
  856. package/lib/mol-plugin-ui/structure/source.js +4 -4
  857. package/lib/mol-plugin-ui/structure/superposition.js +8 -8
  858. package/lib/mol-plugin-ui/structure/volume.js +4 -4
  859. package/lib/mol-plugin-ui/task.js +5 -5
  860. package/lib/mol-plugin-ui/toast.js +4 -4
  861. package/lib/mol-plugin-ui/viewport/canvas.js +3 -3
  862. package/lib/mol-plugin-ui/viewport/help.js +8 -8
  863. package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
  864. package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -1
  865. package/lib/mol-plugin-ui/viewport.js +4 -4
  866. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
  867. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -10
  868. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
  869. package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -5
  870. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +16 -6
  871. package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +8 -3
  872. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
  873. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
  874. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
  875. package/lib/mol-repr/structure/visual/element-point.js +22 -3
  876. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
  877. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
  878. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
  879. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  880. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
  881. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
  882. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  883. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
  884. package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
  885. package/lib/mol-repr/structure/visual/util/common.js +1 -24
  886. package/lib/mol-repr/structure/visual/util/element.js +36 -2
  887. package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
  888. package/lib/mol-repr/structure/visual/util/link.js +55 -6
  889. package/lib/mol-script/language/builder.d.ts +1 -0
  890. package/lib/mol-script/language/parser.js +7 -4
  891. package/lib/mol-task/util/scheduler.d.ts +2 -2
  892. package/lib/mol-task/util/scheduler.js +7 -7
  893. package/lib/mol-theme/color/hydrophobicity.js +2 -2
  894. package/lib/mol-util/data-source.js +2 -1
  895. package/lib/mol-util/file-info.d.ts +1 -3
  896. package/lib/mol-util/file-info.js +2 -10
  897. package/lib/mol-util/index.d.ts +1 -0
  898. package/lib/mol-util/index.js +5 -0
  899. package/lib/mol-util/zip/deflate.js +2 -1
  900. package/lib/mol-util/zip/zip.d.ts +7 -1
  901. package/lib/mol-util/zip/zip.js +5 -1
  902. package/lib/servers/model/config.d.ts +2 -2
  903. package/package.json +160 -160
  904. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  905. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -31,9 +31,9 @@ exports.AnimateCameraRock = model_1.PluginStateAnimation.create({
31
31
  },
32
32
  apply: function (animState, t, ctx) {
33
33
  var _a, _b;
34
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
34
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
35
35
  var snapshot, phase, angle, position;
36
- return (0, tslib_1.__generator)(this, function (_c) {
36
+ return tslib_1.__generator(this, function (_c) {
37
37
  if (t.current === 0) {
38
38
  return [2 /*return*/, { kind: 'next', state: animState }];
39
39
  }
@@ -50,7 +50,7 @@ exports.AnimateCameraRock = model_1.PluginStateAnimation.create({
50
50
  quat_1.Quat.setAxisAngle(_rot, _axis, angle);
51
51
  vec3_1.Vec3.transformQuat(_dir, _dir, _rot);
52
52
  position = vec3_1.Vec3.add((0, vec3_1.Vec3)(), snapshot.target, _dir);
53
- (_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, snapshot), { position: position }), durationMs: 0 });
53
+ (_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: tslib_1.__assign(tslib_1.__assign({}, snapshot), { position: position }), durationMs: 0 });
54
54
  if (phase >= 0.99999) {
55
55
  return [2 /*return*/, { kind: 'finished' }];
56
56
  }
@@ -30,9 +30,9 @@ exports.AnimateCameraSpin = model_1.PluginStateAnimation.create({
30
30
  },
31
31
  apply: function (animState, t, ctx) {
32
32
  var _a, _b;
33
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
33
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
34
34
  var snapshot, phase, angle, position;
35
- return (0, tslib_1.__generator)(this, function (_c) {
35
+ return tslib_1.__generator(this, function (_c) {
36
36
  if (t.current === 0) {
37
37
  return [2 /*return*/, { kind: 'next', state: animState }];
38
38
  }
@@ -49,7 +49,7 @@ exports.AnimateCameraSpin = model_1.PluginStateAnimation.create({
49
49
  quat_1.Quat.setAxisAngle(_rot, _axis, angle);
50
50
  vec3_1.Vec3.transformQuat(_dir, _dir, _rot);
51
51
  position = vec3_1.Vec3.add((0, vec3_1.Vec3)(), snapshot.target, _dir);
52
- (_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, snapshot), { position: position }), durationMs: 0 });
52
+ (_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: tslib_1.__assign(tslib_1.__assign({}, snapshot), { position: position }), durationMs: 0 });
53
53
  if (phase >= 0.99999) {
54
54
  return [2 /*return*/, { kind: 'finished' }];
55
55
  }
@@ -21,9 +21,9 @@ exports.AnimateUnitsExplode = model_1.PluginStateAnimation.create({
21
21
  }); },
22
22
  initialState: function () { return ({ t: 0 }); },
23
23
  setup: function (_, __, plugin) {
24
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
24
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
25
25
  var state, reprs, update, changed, _i, reprs_1, r, explodes;
26
- return (0, tslib_1.__generator)(this, function (_a) {
26
+ return tslib_1.__generator(this, function (_a) {
27
27
  state = plugin.state.data;
28
28
  reprs = state.select(mol_state_1.StateSelection.Generators.ofType(objects_1.PluginStateObject.Molecule.Structure.Representation3D));
29
29
  update = state.build();
@@ -57,9 +57,9 @@ exports.AnimateUnitsExplode = model_1.PluginStateAnimation.create({
57
57
  return update.commit();
58
58
  },
59
59
  apply: function (animState, t, ctx) {
60
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
60
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
61
61
  var state, anims, update, d, newTime, _i, anims_1, m;
62
- return (0, tslib_1.__generator)(this, function (_a) {
62
+ return tslib_1.__generator(this, function (_a) {
63
63
  switch (_a.label) {
64
64
  case 0:
65
65
  state = ctx.plugin.state.data;
@@ -69,9 +69,9 @@ exports.AnimateModelIndex = model_1.PluginStateAnimation.create({
69
69
  },
70
70
  initialState: function () { return ({}); },
71
71
  apply: function (animState, t, ctx) {
72
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
72
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
73
73
  var state, models, update, params, palindromeDirections, isEnd, allSingles, _loop_1, _i, models_3, m;
74
- return (0, tslib_1.__generator)(this, function (_a) {
74
+ return tslib_1.__generator(this, function (_a) {
75
75
  switch (_a.label) {
76
76
  case 0:
77
77
  // limit fps
@@ -23,9 +23,9 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
23
23
  initialState: function () { return ({ t: 0 }); },
24
24
  getDuration: function (p) { return ({ kind: 'fixed', durationMs: p.durationInMs }); },
25
25
  setup: function (_, __, plugin) {
26
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
26
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
27
27
  var state, reprs, update, changed, _i, reprs_1, r, spins;
28
- return (0, tslib_1.__generator)(this, function (_a) {
28
+ return tslib_1.__generator(this, function (_a) {
29
29
  state = plugin.state.data;
30
30
  reprs = state.select(mol_state_1.StateSelection.Generators.ofType(objects_1.PluginStateObject.Molecule.Structure.Representation3D));
31
31
  update = state.build();
@@ -60,9 +60,9 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
60
60
  },
61
61
  apply: function (animState, t, ctx) {
62
62
  var _a;
63
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
63
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
64
64
  var state, anims, update, d, newTime, _i, anims_1, m;
65
- return (0, tslib_1.__generator)(this, function (_b) {
65
+ return tslib_1.__generator(this, function (_b) {
66
66
  switch (_b.label) {
67
67
  case 0:
68
68
  state = ctx.plugin.state.data;
@@ -75,7 +75,7 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
75
75
  newTime = (animState.t + d) % 1;
76
76
  for (_i = 0, anims_1 = anims; _i < anims_1.length; _i++) {
77
77
  m = anims_1[_i];
78
- update.to(m).update((0, tslib_1.__assign)((0, tslib_1.__assign)({}, (_a = m.params) === null || _a === void 0 ? void 0 : _a.values), { t: newTime }));
78
+ update.to(m).update(tslib_1.__assign(tslib_1.__assign({}, (_a = m.params) === null || _a === void 0 ? void 0 : _a.values), { t: newTime }));
79
79
  }
80
80
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(ctx.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
81
81
  case 1:
@@ -23,9 +23,9 @@ exports.AnimateStateInterpolation = model_1.PluginStateAnimation.create({
23
23
  },
24
24
  initialState: function () { return ({}); },
25
25
  apply: function (animState, t, ctx) {
26
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
26
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
27
27
  var snapshots, currentT, srcIndex, tarIndex, _src, _tar, src, tar, state, update, _i, src_1, s, _a, tar_1, t_1, e, f, oldState, newState;
28
- return (0, tslib_1.__generator)(this, function (_b) {
28
+ return tslib_1.__generator(this, function (_b) {
29
29
  switch (_b.label) {
30
30
  case 0:
31
31
  snapshots = ctx.plugin.managers.snapshot.state.entries;
@@ -11,8 +11,8 @@ var model_1 = require("../model");
11
11
  function setPartialSnapshot(plugin, entry, first) {
12
12
  var _a;
13
13
  if (first === void 0) { first = false; }
14
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
15
- return (0, tslib_1.__generator)(this, function (_b) {
14
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
15
+ return tslib_1.__generator(this, function (_b) {
16
16
  switch (_b.label) {
17
17
  case 0:
18
18
  if (!entry.snapshot.data) return [3 /*break*/, 2];
@@ -68,9 +68,9 @@ exports.AnimateStateSnapshots = model_1.PluginStateAnimation.create({
68
68
  },
69
69
  apply: function (animState, t, ctx) {
70
70
  var _a;
71
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
71
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
72
72
  var ctime, i, _i, _b, s;
73
- return (0, tslib_1.__generator)(this, function (_c) {
73
+ return tslib_1.__generator(this, function (_c) {
74
74
  if (t.current >= animState.totalDuration) {
75
75
  return [2 /*return*/, { kind: 'finished' }];
76
76
  }
@@ -89,7 +89,7 @@ exports.AnimateStateSnapshots = model_1.PluginStateAnimation.create({
89
89
  return [2 /*return*/, { kind: 'skip' }];
90
90
  }
91
91
  setPartialSnapshot(ctx.plugin, animState.snapshots[i]);
92
- return [2 /*return*/, { kind: 'next', state: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, animState), { currentIndex: i }) }];
92
+ return [2 /*return*/, { kind: 'next', state: tslib_1.__assign(tslib_1.__assign({}, animState), { currentIndex: i }) }];
93
93
  });
94
94
  });
95
95
  }
@@ -34,9 +34,9 @@ var DataBuilder = /** @class */ (function () {
34
34
  };
35
35
  DataBuilder.prototype.readFile = function (params, options) {
36
36
  var _a;
37
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
37
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
38
38
  var data, fileInfo;
39
- return (0, tslib_1.__generator)(this, function (_b) {
39
+ return tslib_1.__generator(this, function (_b) {
40
40
  switch (_b.label) {
41
41
  case 0: return [4 /*yield*/, this.dataState.build().toRoot().apply(data_1.ReadFile, params, options).commit({ revertOnError: true })];
42
42
  case 1:
@@ -28,7 +28,7 @@ exports.TrajectoryHierarchyPresetProvider = TrajectoryHierarchyPresetProvider;
28
28
  }); };
29
29
  })(TrajectoryHierarchyPresetProvider = exports.TrajectoryHierarchyPresetProvider || (exports.TrajectoryHierarchyPresetProvider = {}));
30
30
  var CommonParams = TrajectoryHierarchyPresetProvider.CommonParams;
31
- var DefaultParams = function (a, plugin) { return ((0, tslib_1.__assign)({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))), showUnitcell: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Boolean(false)), structure: param_definition_1.ParamDefinition.Optional(root_structure_1.RootStructureDefinition.getParams(void 0, 'assembly').type), representationPresetParams: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(representation_preset_1.StructureRepresentationPresetProvider.CommonParams)) }, CommonParams(a, plugin))); };
31
+ var DefaultParams = function (a, plugin) { return (tslib_1.__assign({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))), showUnitcell: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Boolean(false)), structure: param_definition_1.ParamDefinition.Optional(root_structure_1.RootStructureDefinition.getParams(void 0, 'assembly').type), representationPresetParams: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(representation_preset_1.StructureRepresentationPresetProvider.CommonParams)) }, CommonParams(a, plugin))); };
32
32
  var defaultPreset = TrajectoryHierarchyPresetProvider({
33
33
  id: 'preset-trajectory-default',
34
34
  display: {
@@ -40,9 +40,9 @@ var defaultPreset = TrajectoryHierarchyPresetProvider({
40
40
  },
41
41
  params: DefaultParams,
42
42
  apply: function (trajectory, params, plugin) {
43
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
43
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
44
44
  var builder, model, modelProperties, structure, structureProperties, unitcell, _a, representationPreset, representation;
45
- return (0, tslib_1.__generator)(this, function (_b) {
45
+ return tslib_1.__generator(this, function (_b) {
46
46
  switch (_b.label) {
47
47
  case 0:
48
48
  builder = plugin.builders.structure;
@@ -85,7 +85,7 @@ var defaultPreset = TrajectoryHierarchyPresetProvider({
85
85
  });
86
86
  }
87
87
  });
88
- var AllModelsParams = function (a, plugin) { return ((0, tslib_1.__assign)({ useDefaultIfSingleModel: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Boolean(false)), representationPresetParams: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(representation_preset_1.StructureRepresentationPresetProvider.CommonParams)) }, CommonParams(a, plugin))); };
88
+ var AllModelsParams = function (a, plugin) { return (tslib_1.__assign({ useDefaultIfSingleModel: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Boolean(false)), representationPresetParams: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(representation_preset_1.StructureRepresentationPresetProvider.CommonParams)) }, CommonParams(a, plugin))); };
89
89
  var allModels = TrajectoryHierarchyPresetProvider({
90
90
  id: 'preset-trajectory-all-models',
91
91
  display: {
@@ -98,9 +98,9 @@ var allModels = TrajectoryHierarchyPresetProvider({
98
98
  params: AllModelsParams,
99
99
  apply: function (trajectory, params, plugin) {
100
100
  var _a, _b;
101
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
101
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
102
102
  var tr, builder, models, structures, i, model, modelProperties, structure, structureProperties, quality, representationPreset;
103
- return (0, tslib_1.__generator)(this, function (_c) {
103
+ return tslib_1.__generator(this, function (_c) {
104
104
  switch (_c.label) {
105
105
  case 0:
106
106
  tr = (_b = (_a = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, trajectory)) === null || _a === void 0 ? void 0 : _a.obj) === null || _b === void 0 ? void 0 : _b.data;
@@ -144,11 +144,11 @@ var allModels = TrajectoryHierarchyPresetProvider({
144
144
  });
145
145
  }
146
146
  });
147
- var CrystalSymmetryParams = function (a, plugin) { return ((0, tslib_1.__assign)({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))) }, CommonParams(a, plugin))); };
147
+ var CrystalSymmetryParams = function (a, plugin) { return (tslib_1.__assign({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))) }, CommonParams(a, plugin))); };
148
148
  function applyCrystalSymmetry(props, trajectory, params, plugin) {
149
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
149
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
150
150
  var builder, model, modelProperties, structure, structureProperties, unitcell, representationPreset, representation;
151
- return (0, tslib_1.__generator)(this, function (_a) {
151
+ return tslib_1.__generator(this, function (_a) {
152
152
  switch (_a.label) {
153
153
  case 0:
154
154
  builder = plugin.builders.structure;
@@ -197,8 +197,8 @@ var unitcell = TrajectoryHierarchyPresetProvider({
197
197
  },
198
198
  params: CrystalSymmetryParams,
199
199
  apply: function (trajectory, params, plugin) {
200
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
201
- return (0, tslib_1.__generator)(this, function (_a) {
200
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
201
+ return tslib_1.__generator(this, function (_a) {
202
202
  switch (_a.label) {
203
203
  case 0: return [4 /*yield*/, applyCrystalSymmetry({ ijkMin: linear_algebra_1.Vec3.create(0, 0, 0), ijkMax: linear_algebra_1.Vec3.create(0, 0, 0) }, trajectory, params, plugin)];
204
204
  case 1: return [2 /*return*/, _a.sent()];
@@ -218,8 +218,8 @@ var supercell = TrajectoryHierarchyPresetProvider({
218
218
  },
219
219
  params: CrystalSymmetryParams,
220
220
  apply: function (trajectory, params, plugin) {
221
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
222
- return (0, tslib_1.__generator)(this, function (_a) {
221
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
222
+ return tslib_1.__generator(this, function (_a) {
223
223
  switch (_a.label) {
224
224
  case 0: return [4 /*yield*/, applyCrystalSymmetry({ ijkMin: linear_algebra_1.Vec3.create(-1, -1, -1), ijkMax: linear_algebra_1.Vec3.create(1, 1, 1), theme: 'operator-hkl' }, trajectory, params, plugin)];
225
225
  case 1: return [2 /*return*/, _a.sent()];
@@ -228,7 +228,7 @@ var supercell = TrajectoryHierarchyPresetProvider({
228
228
  });
229
229
  }
230
230
  });
231
- var CrystalContactsParams = function (a, plugin) { return ((0, tslib_1.__assign)({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))) }, CommonParams(a, plugin))); };
231
+ var CrystalContactsParams = function (a, plugin) { return (tslib_1.__assign({ model: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.ModelFromTrajectory, a, plugin))) }, CommonParams(a, plugin))); };
232
232
  var crystalContacts = TrajectoryHierarchyPresetProvider({
233
233
  id: 'preset-trajectory-crystal-contacts',
234
234
  display: {
@@ -240,9 +240,9 @@ var crystalContacts = TrajectoryHierarchyPresetProvider({
240
240
  },
241
241
  params: CrystalContactsParams,
242
242
  apply: function (trajectory, params, plugin) {
243
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
243
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
244
244
  var builder, model, modelProperties, structure, structureProperties, unitcell, representationPreset, representation;
245
- return (0, tslib_1.__generator)(this, function (_a) {
245
+ return tslib_1.__generator(this, function (_a) {
246
246
  switch (_a.label) {
247
247
  case 0:
248
248
  builder = plugin.builders.structure;
@@ -112,7 +112,7 @@ var auto = StructureRepresentationPresetProvider({
112
112
  } // else fall through
113
113
  case structure_1.Structure.Size.Small:
114
114
  // `showCarbohydrateSymbol: true` is nice, e.g., for PDB 1aga
115
- return atomicDetail.apply(ref, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params), { showCarbohydrateSymbol: true }), plugin);
115
+ return atomicDetail.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { showCarbohydrateSymbol: true }), plugin);
116
116
  default:
117
117
  (0, type_helpers_1.assertUnreachable)(size);
118
118
  }
@@ -122,8 +122,8 @@ var empty = StructureRepresentationPresetProvider({
122
122
  id: 'preset-structure-representation-empty',
123
123
  display: { name: 'Empty', description: 'Removes all existing representations.' },
124
124
  apply: function (ref, params, plugin) {
125
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
126
- return (0, tslib_1.__generator)(this, function (_a) {
125
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
126
+ return tslib_1.__generator(this, function (_a) {
127
127
  return [2 /*return*/, {}];
128
128
  });
129
129
  });
@@ -139,10 +139,10 @@ var polymerAndLigand = StructureRepresentationPresetProvider({
139
139
  params: function () { return CommonParams; },
140
140
  apply: function (ref, params, plugin) {
141
141
  var _a, _b, _c, _d, _e, _f, _g, _h, _j, _k;
142
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
142
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
143
143
  var structureCell, components, structure, cartoonProps, waterType, lipidType, _l, update, builder, typeParams, color, symmetryColor, ballAndStickColor, representations;
144
144
  var _m;
145
- return (0, tslib_1.__generator)(this, function (_o) {
145
+ return tslib_1.__generator(this, function (_o) {
146
146
  switch (_o.label) {
147
147
  case 0:
148
148
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -182,14 +182,14 @@ var polymerAndLigand = StructureRepresentationPresetProvider({
182
182
  lipidType = (((_f = (_e = (_d = components.lipid) === null || _d === void 0 ? void 0 : _d.obj) === null || _e === void 0 ? void 0 : _e.data) === null || _f === void 0 ? void 0 : _f.elementCount) || 0) > 20000 ? 'line' : 'ball-and-stick';
183
183
  _l = reprBuilder(plugin, params, structure), update = _l.update, builder = _l.builder, typeParams = _l.typeParams, color = _l.color, symmetryColor = _l.symmetryColor, ballAndStickColor = _l.ballAndStickColor;
184
184
  representations = {
185
- polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'polymer' }),
185
+ polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'polymer' }),
186
186
  ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: typeParams, color: color, colorParams: ballAndStickColor }, { tag: 'ligand' }),
187
187
  nonStandard: builder.buildRepresentation(update, components.nonStandard, { type: 'ball-and-stick', typeParams: typeParams, color: color, colorParams: ballAndStickColor }, { tag: 'non-standard' }),
188
- branchedBallAndStick: builder.buildRepresentation(update, components.branched, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { alpha: 0.3 }), color: color, colorParams: ballAndStickColor }, { tag: 'branched-ball-and-stick' }),
188
+ branchedBallAndStick: builder.buildRepresentation(update, components.branched, { type: 'ball-and-stick', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), { alpha: 0.3 }), color: color, colorParams: ballAndStickColor }, { tag: 'branched-ball-and-stick' }),
189
189
  branchedSnfg3d: builder.buildRepresentation(update, components.branched, { type: 'carbohydrate', typeParams: typeParams, color: color }, { tag: 'branched-snfg-3d' }),
190
- water: builder.buildRepresentation(update, components.water, { type: waterType, typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { alpha: 0.6, visuals: waterType === 'line' ? ['intra-bond', 'element-point'] : undefined }), color: color, colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'water' }),
190
+ water: builder.buildRepresentation(update, components.water, { type: waterType, typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), { alpha: 0.6, visuals: waterType === 'line' ? ['intra-bond', 'element-point'] : undefined }), color: color, colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'water' }),
191
191
  ion: builder.buildRepresentation(update, components.ion, { type: 'ball-and-stick', typeParams: typeParams, color: color, colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ion' }),
192
- lipid: builder.buildRepresentation(update, components.lipid, { type: lipidType, typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { alpha: 0.6, visuals: lipidType === 'line' ? ['intra-bond'] : undefined }), color: color, colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'lipid' }),
192
+ lipid: builder.buildRepresentation(update, components.lipid, { type: lipidType, typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), { alpha: 0.6, visuals: lipidType === 'line' ? ['intra-bond'] : undefined }), color: color, colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'lipid' }),
193
193
  coarse: builder.buildRepresentation(update, components.coarse, { type: 'spacefill', typeParams: typeParams, color: color || 'chain-id' }, { tag: 'coarse' })
194
194
  };
195
195
  return [4 /*yield*/, update.commit({ revertOnError: false })];
@@ -213,10 +213,10 @@ var proteinAndNucleic = StructureRepresentationPresetProvider({
213
213
  params: function () { return CommonParams; },
214
214
  apply: function (ref, params, plugin) {
215
215
  var _a, _b, _c, _d;
216
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
216
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
217
217
  var structureCell, components, structure, cartoonProps, gaussianProps, _e, update, builder, typeParams, symmetryColor, representations;
218
218
  var _f;
219
- return (0, tslib_1.__generator)(this, function (_g) {
219
+ return tslib_1.__generator(this, function (_g) {
220
220
  switch (_g.label) {
221
221
  case 0:
222
222
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -240,8 +240,8 @@ var proteinAndNucleic = StructureRepresentationPresetProvider({
240
240
  };
241
241
  _e = reprBuilder(plugin, params, structure), update = _e.update, builder = _e.builder, typeParams = _e.typeParams, symmetryColor = _e.symmetryColor;
242
242
  representations = {
243
- protein: builder.buildRepresentation(update, components.protein, { type: 'cartoon', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'protein' }),
244
- nucleic: builder.buildRepresentation(update, components.nucleic, { type: 'gaussian-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'nucleic' })
243
+ protein: builder.buildRepresentation(update, components.protein, { type: 'cartoon', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'protein' }),
244
+ nucleic: builder.buildRepresentation(update, components.nucleic, { type: 'gaussian-surface', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'nucleic' })
245
245
  };
246
246
  return [4 /*yield*/, update.commit({ revertOnError: true })];
247
247
  case 3:
@@ -264,10 +264,10 @@ var coarseSurface = StructureRepresentationPresetProvider({
264
264
  params: function () { return CommonParams; },
265
265
  apply: function (ref, params, plugin) {
266
266
  var _a, _b, _c, _d;
267
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
267
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
268
268
  var structureCell, components, structure, size, gaussianProps, _e, update, builder, typeParams, symmetryColor, representations;
269
269
  var _f;
270
- return (0, tslib_1.__generator)(this, function (_g) {
270
+ return tslib_1.__generator(this, function (_g) {
271
271
  switch (_g.label) {
272
272
  case 0:
273
273
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -306,8 +306,8 @@ var coarseSurface = StructureRepresentationPresetProvider({
306
306
  }
307
307
  _e = reprBuilder(plugin, params, structure), update = _e.update, builder = _e.builder, typeParams = _e.typeParams, symmetryColor = _e.symmetryColor;
308
308
  representations = {
309
- polymer: builder.buildRepresentation(update, components.polymer, { type: 'gaussian-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'polymer' }),
310
- lipid: builder.buildRepresentation(update, components.lipid, { type: 'gaussian-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'lipid' })
309
+ polymer: builder.buildRepresentation(update, components.polymer, { type: 'gaussian-surface', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'polymer' }),
310
+ lipid: builder.buildRepresentation(update, components.lipid, { type: 'gaussian-surface', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), gaussianProps), color: symmetryColor }, { tag: 'lipid' })
311
311
  };
312
312
  return [4 /*yield*/, update.commit({ revertOnError: true })];
313
313
  case 3:
@@ -330,10 +330,10 @@ var polymerCartoon = StructureRepresentationPresetProvider({
330
330
  params: function () { return CommonParams; },
331
331
  apply: function (ref, params, plugin) {
332
332
  var _a, _b, _c, _d;
333
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
333
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
334
334
  var structureCell, components, structure, cartoonProps, _e, update, builder, typeParams, symmetryColor, representations;
335
335
  var _f;
336
- return (0, tslib_1.__generator)(this, function (_g) {
336
+ return tslib_1.__generator(this, function (_g) {
337
337
  switch (_g.label) {
338
338
  case 0:
339
339
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -350,7 +350,7 @@ var polymerCartoon = StructureRepresentationPresetProvider({
350
350
  };
351
351
  _e = reprBuilder(plugin, params, structure), update = _e.update, builder = _e.builder, typeParams = _e.typeParams, symmetryColor = _e.symmetryColor;
352
352
  representations = {
353
- polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'polymer' })
353
+ polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), cartoonProps), color: symmetryColor }, { tag: 'polymer' })
354
354
  };
355
355
  return [4 /*yield*/, update.commit({ revertOnError: true })];
356
356
  case 2:
@@ -370,13 +370,13 @@ var atomicDetail = StructureRepresentationPresetProvider({
370
370
  name: 'Atomic Detail', group: BuiltInPresetGroupName,
371
371
  description: 'Shows everything in atomic detail with Ball & Stick.'
372
372
  },
373
- params: function () { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, CommonParams), { showCarbohydrateSymbol: param_definition_1.ParamDefinition.Boolean(false) })); },
373
+ params: function () { return (tslib_1.__assign(tslib_1.__assign({}, CommonParams), { showCarbohydrateSymbol: param_definition_1.ParamDefinition.Boolean(false) })); },
374
374
  apply: function (ref, params, plugin) {
375
375
  var _a, _b, _c, _d, _e, _f;
376
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
376
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
377
377
  var structureCell, components, structure, highElementCount, lowResidueElementRatio, m, bondsGiven, atomicType, showCarbohydrateSymbol, _g, _h, _j, _k, update, builder, typeParams, color, ballAndStickColor, colorParams, representations;
378
378
  var _l, _m;
379
- return (0, tslib_1.__generator)(this, function (_o) {
379
+ return tslib_1.__generator(this, function (_o) {
380
380
  switch (_o.label) {
381
381
  case 0:
382
382
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -426,7 +426,7 @@ var atomicDetail = StructureRepresentationPresetProvider({
426
426
  };
427
427
  if (showCarbohydrateSymbol) {
428
428
  Object.assign(representations, {
429
- snfg3d: builder.buildRepresentation(update, components.branched, { type: 'carbohydrate', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { alpha: 0.4, visuals: ['carbohydrate-symbol'] }), color: color }, { tag: 'snfg-3d' }),
429
+ snfg3d: builder.buildRepresentation(update, components.branched, { type: 'carbohydrate', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), { alpha: 0.4, visuals: ['carbohydrate-symbol'] }), color: color }, { tag: 'snfg-3d' }),
430
430
  });
431
431
  }
432
432
  return [4 /*yield*/, update.commit({ revertOnError: true })];
@@ -447,13 +447,13 @@ var illustrative = StructureRepresentationPresetProvider({
447
447
  name: 'Illustrative', group: 'Miscellaneous',
448
448
  description: '...'
449
449
  },
450
- params: function () { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, CommonParams), { showCarbohydrateSymbol: param_definition_1.ParamDefinition.Boolean(false) })); },
450
+ params: function () { return (tslib_1.__assign(tslib_1.__assign({}, CommonParams), { showCarbohydrateSymbol: param_definition_1.ParamDefinition.Boolean(false) })); },
451
451
  apply: function (ref, params, plugin) {
452
452
  var _a, _b, _c, _d, _e;
453
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
453
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
454
454
  var structureCell, components, structure, _f, update, builder, typeParams, color, representations;
455
455
  var _g;
456
- return (0, tslib_1.__generator)(this, function (_h) {
456
+ return tslib_1.__generator(this, function (_h) {
457
457
  switch (_h.label) {
458
458
  case 0:
459
459
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -468,7 +468,7 @@ var illustrative = StructureRepresentationPresetProvider({
468
468
  structure = structureCell.obj.data;
469
469
  _f = reprBuilder(plugin, params, structure), update = _f.update, builder = _f.builder, typeParams = _f.typeParams, color = _f.color;
470
470
  representations = {
471
- all: builder.buildRepresentation(update, components.all, { type: 'spacefill', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { ignoreLight: true }), color: 'illustrative' }, { tag: 'all' }),
471
+ all: builder.buildRepresentation(update, components.all, { type: 'spacefill', typeParams: tslib_1.__assign(tslib_1.__assign({}, typeParams), { ignoreLight: true }), color: 'illustrative' }, { tag: 'all' }),
472
472
  };
473
473
  return [4 /*yield*/, update.commit({ revertOnError: true })];
474
474
  case 2:
@@ -121,9 +121,9 @@ var StructureRepresentationBuilder = /** @class */ (function () {
121
121
  return this.plugin.runTask(task);
122
122
  };
123
123
  StructureRepresentationBuilder.prototype.addRepresentation = function (structure, props, options) {
124
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
124
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
125
125
  var repr, selector;
126
- return (0, tslib_1.__generator)(this, function (_a) {
126
+ return tslib_1.__generator(this, function (_a) {
127
127
  switch (_a.label) {
128
128
  case 0:
129
129
  repr = this.dataState.build();
@@ -30,9 +30,9 @@ var StructureBuilder = /** @class */ (function () {
30
30
  configurable: true
31
31
  });
32
32
  StructureBuilder.prototype.parseTrajectoryData = function (data, format) {
33
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
33
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
34
34
  var provider, trajectory;
35
- return (0, tslib_1.__generator)(this, function (_a) {
35
+ return tslib_1.__generator(this, function (_a) {
36
36
  switch (_a.label) {
37
37
  case 0:
38
38
  provider = typeof format === 'string' ? this.plugin.dataFormats.get(format) : format;
@@ -116,16 +116,16 @@ var StructureBuilder = /** @class */ (function () {
116
116
  /** returns undefined if the component is empty/null */
117
117
  StructureBuilder.prototype.tryCreateComponent = function (structure, params, key, tags) {
118
118
  var _a, _b;
119
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
119
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
120
120
  var state, root, keyTag, component, selector;
121
- return (0, tslib_1.__generator)(this, function (_c) {
121
+ return tslib_1.__generator(this, function (_c) {
122
122
  switch (_c.label) {
123
123
  case 0:
124
124
  state = this.dataState;
125
125
  root = state.build().to(structure);
126
126
  keyTag = "structure-component-".concat(key);
127
127
  component = root.applyOrUpdateTagged(keyTag, transforms_1.StateTransforms.Model.StructureComponent, params, {
128
- tags: tags ? (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], tags, true), [keyTag], false) : [keyTag]
128
+ tags: tags ? tslib_1.__spreadArray(tslib_1.__spreadArray([], tags, true), [keyTag], false) : [keyTag]
129
129
  });
130
130
  return [4 /*yield*/, component.commit()];
131
131
  case 1:
@@ -157,11 +157,11 @@ var StructureBuilder = /** @class */ (function () {
157
157
  };
158
158
  StructureBuilder.prototype.tryCreateComponentFromSelection = function (structure, selection, key, params) {
159
159
  var _this = this;
160
- return this.plugin.runTask(mol_task_1.Task.create('Query Component', function (taskCtx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
160
+ return this.plugin.runTask(mol_task_1.Task.create('Query Component', function (taskCtx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
161
161
  var _a, label, tags, structureData, transformParams, _b, _c, _d;
162
162
  var _e, _f;
163
163
  var _g, _h;
164
- return (0, tslib_1.__generator)(this, function (_j) {
164
+ return tslib_1.__generator(this, function (_j) {
165
165
  switch (_j.label) {
166
166
  case 0:
167
167
  _a = params || {}, label = _a.label, tags = _a.tags;
@@ -51,7 +51,7 @@ var PluginComponent = /** @class */ (function () {
51
51
  }());
52
52
  exports.PluginComponent = PluginComponent;
53
53
  var StatefulPluginComponent = /** @class */ (function (_super) {
54
- (0, tslib_1.__extends)(StatefulPluginComponent, _super);
54
+ tslib_1.__extends(StatefulPluginComponent, _super);
55
55
  function StatefulPluginComponent(initialState) {
56
56
  var _this = _super.call(this) || this;
57
57
  _this._state = initialState;