molstar 3.8.2 → 3.10.0

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 (596) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -202
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +109 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/viewer/app.d.ts +5 -2
  8. package/lib/apps/viewer/app.js +11 -7
  9. package/lib/apps/viewer/embedded.html +43 -43
  10. package/lib/apps/viewer/index.html +109 -106
  11. package/lib/cli/cif2bcif/converter.js +1 -1
  12. package/lib/commonjs/apps/viewer/app.d.ts +5 -2
  13. package/lib/commonjs/apps/viewer/app.js +12 -7
  14. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  15. package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
  16. package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
  17. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
  18. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
  19. package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
  20. package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
  21. package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  22. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
  23. package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
  24. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  25. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  26. package/lib/commonjs/extensions/cellpack/state.js +1 -1
  27. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
  28. package/lib/commonjs/extensions/g3d/model.js +1 -1
  29. package/lib/commonjs/extensions/geo-export/ui.js +1 -0
  30. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  31. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  32. package/lib/commonjs/extensions/mp4-export/ui.js +1 -0
  33. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
  34. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
  35. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  36. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  37. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  38. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  39. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  40. package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
  41. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
  42. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
  43. package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
  44. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
  45. package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
  46. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
  47. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
  48. package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
  49. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
  50. package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
  51. package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
  52. package/lib/commonjs/mol-data/db/column.js +5 -5
  53. package/lib/commonjs/mol-data/db/table.js +2 -2
  54. package/lib/commonjs/mol-data/util/array.d.ts +1 -1
  55. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  56. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  57. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  59. package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
  60. package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
  61. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  62. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  63. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  65. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  66. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  67. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  68. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  69. package/lib/commonjs/mol-gl/renderer.js +77 -32
  70. package/lib/commonjs/mol-gl/scene.js +2 -0
  71. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  72. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  73. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  74. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  75. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  76. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  77. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  78. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  79. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  80. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  81. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  82. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  83. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  84. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  85. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
  86. package/lib/commonjs/mol-gl/shader/lines.frag.js +1 -1
  87. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  88. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  89. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +1 -1
  90. package/lib/commonjs/mol-gl/shader/points.frag.js +1 -1
  91. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  92. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  93. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +1 -1
  94. package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
  95. package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
  96. package/lib/commonjs/mol-gl/shader-code.js +41 -9
  97. package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
  98. package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
  99. package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
  100. package/lib/commonjs/mol-gl/webgl/context.js +3 -0
  101. package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
  102. package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
  103. package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
  104. package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
  105. package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
  106. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
  107. package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
  108. package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
  109. package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
  110. package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
  111. package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
  112. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
  113. package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
  114. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  115. package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
  116. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
  117. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
  118. package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
  119. package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
  120. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
  121. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  122. package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
  123. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  124. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  125. package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
  126. package/lib/commonjs/mol-model/structure/model/model.js +2 -2
  127. package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
  128. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  129. package/lib/commonjs/mol-model/structure/model/types.js +116 -116
  130. package/lib/commonjs/mol-model/structure/query/context.js +1 -1
  131. package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
  132. package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
  133. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
  134. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  135. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
  136. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +3 -1
  137. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +192 -108
  138. package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
  139. package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
  140. package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
  141. package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
  142. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  143. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  144. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
  145. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
  146. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
  147. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
  148. package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
  149. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  150. package/lib/commonjs/mol-model/structure/util.js +4 -4
  151. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
  152. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
  153. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
  154. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
  155. package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
  156. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  157. package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
  158. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
  159. package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
  160. package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
  161. package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
  162. package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
  163. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  164. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  165. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  166. package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
  167. package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
  168. package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
  169. package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
  170. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  171. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  172. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
  173. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
  174. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
  175. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
  176. package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
  177. package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
  178. package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  179. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  180. package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  181. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  182. package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  183. package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
  184. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
  185. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  186. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  187. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  188. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  189. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  190. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  191. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  192. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  193. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  194. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  195. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
  196. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  197. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  198. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
  199. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  200. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
  201. package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
  202. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
  203. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
  204. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  205. package/lib/commonjs/mol-plugin/config.d.ts +3 -0
  206. package/lib/commonjs/mol-plugin/config.js +3 -1
  207. package/lib/commonjs/mol-plugin/context.d.ts +2 -2
  208. package/lib/commonjs/mol-plugin/context.js +3 -0
  209. package/lib/commonjs/mol-plugin/state.d.ts +1 -14
  210. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
  211. package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
  212. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  213. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  214. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
  215. package/lib/commonjs/mol-plugin-ui/controls.js +1 -1
  216. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  217. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
  218. package/lib/commonjs/mol-plugin-ui/state/snapshots.js +1 -0
  219. package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
  220. package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +1 -0
  221. package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
  222. package/lib/commonjs/mol-repr/shape/representation.d.ts +1 -1
  223. package/lib/commonjs/mol-repr/shape/representation.js +2 -1
  224. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
  225. package/lib/commonjs/mol-repr/structure/complex-visual.js +2 -1
  226. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
  227. package/lib/commonjs/mol-repr/structure/units-visual.js +2 -1
  228. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  229. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  230. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -15
  231. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -15
  232. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  233. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  234. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  235. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  236. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  237. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  238. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  239. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
  240. package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
  241. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  242. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  243. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  244. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
  245. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  246. package/lib/commonjs/mol-repr/volume/representation.js +2 -1
  247. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  248. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
  249. package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
  250. package/lib/commonjs/mol-state/object.d.ts +3 -3
  251. package/lib/commonjs/mol-task/util/user-timing.js +1 -1
  252. package/lib/commonjs/mol-theme/clipping.js +19 -19
  253. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  254. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
  255. package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
  256. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  257. package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
  258. package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
  259. package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
  260. package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
  261. package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
  262. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  263. package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
  264. package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
  265. package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
  266. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  267. package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
  268. package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
  269. package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
  270. package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
  271. package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
  272. package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
  273. package/lib/commonjs/mol-theme/color/shape-group.js +1 -1
  274. package/lib/commonjs/mol-theme/color/uncertainty.js +1 -1
  275. package/lib/commonjs/mol-theme/color/uniform.js +1 -1
  276. package/lib/commonjs/mol-theme/color/unit-index.js +1 -1
  277. package/lib/commonjs/mol-theme/color/volume-value.js +1 -1
  278. package/lib/commonjs/mol-theme/label.js +3 -3
  279. package/lib/commonjs/mol-util/binding.js +4 -4
  280. package/lib/commonjs/mol-util/debug.d.ts +6 -1
  281. package/lib/commonjs/mol-util/debug.js +11 -1
  282. package/lib/commonjs/mol-util/input/input-observer.js +20 -20
  283. package/lib/commonjs/mol-util/string-builder.js +1 -1
  284. package/lib/commonjs/servers/model/preprocess/converter.js +1 -1
  285. package/lib/commonjs/servers/model/server/query.js +1 -1
  286. package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -2
  287. package/lib/commonjs/servers/volume/server/algebra/coordinate.js +6 -6
  288. package/lib/commonjs/servers/volume/server/query/encode.js +1 -1
  289. package/lib/examples/alpha-orbitals/index.d.ts +1 -1
  290. package/lib/examples/alpha-orbitals/index.html +72 -61
  291. package/lib/examples/alpha-orbitals/index.js +4 -1
  292. package/lib/examples/basic-wrapper/custom-theme.js +1 -1
  293. package/lib/examples/basic-wrapper/index.html +137 -137
  294. package/lib/examples/lighting/index.html +88 -88
  295. package/lib/examples/proteopedia-wrapper/coloring.js +3 -3
  296. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  297. package/lib/extensions/alpha-orbitals/density.d.ts +1 -1
  298. package/lib/extensions/alpha-orbitals/density.js +6 -2
  299. package/lib/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  300. package/lib/extensions/alpha-orbitals/orbitals.js +6 -3
  301. package/lib/extensions/anvil/algorithm.js +1 -1
  302. package/lib/extensions/cellpack/color/generate.js +1 -1
  303. package/lib/extensions/cellpack/color/provided.js +1 -1
  304. package/lib/extensions/cellpack/state.js +1 -1
  305. package/lib/extensions/dnatco/confal-pyramids/color.js +1 -1
  306. package/lib/extensions/g3d/model.js +1 -1
  307. package/lib/extensions/geo-export/ui.js +1 -0
  308. package/lib/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  309. package/lib/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  310. package/lib/extensions/mp4-export/ui.js +1 -0
  311. package/lib/extensions/pdbe/structure-quality-report/color.js +1 -1
  312. package/lib/extensions/rcsb/assembly-symmetry/color.js +4 -4
  313. package/lib/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  314. package/lib/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  315. package/lib/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  316. package/lib/extensions/rcsb/validation-report/representation.js +2 -2
  317. package/lib/mol-canvas3d/canvas3d.js +5 -1
  318. package/lib/mol-canvas3d/controls/trackball.js +7 -7
  319. package/lib/mol-canvas3d/helper/camera-helper.js +14 -14
  320. package/lib/mol-canvas3d/helper/interaction-events.js +5 -5
  321. package/lib/mol-canvas3d/passes/draw.js +34 -5
  322. package/lib/mol-canvas3d/passes/fxaa.js +5 -0
  323. package/lib/mol-canvas3d/passes/marking.js +5 -0
  324. package/lib/mol-canvas3d/passes/multi-sample.js +9 -0
  325. package/lib/mol-canvas3d/passes/pick.d.ts +18 -5
  326. package/lib/mol-canvas3d/passes/pick.js +125 -24
  327. package/lib/mol-canvas3d/passes/postprocessing.js +5 -0
  328. package/lib/mol-canvas3d/passes/smaa.js +5 -1
  329. package/lib/mol-canvas3d/passes/wboit.js +5 -1
  330. package/lib/mol-data/db/column.js +5 -5
  331. package/lib/mol-data/db/table.js +2 -2
  332. package/lib/mol-data/util/array.d.ts +1 -1
  333. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  334. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  335. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  336. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  337. package/lib/mol-gl/compute/grid3d.d.ts +2 -2
  338. package/lib/mol-gl/compute/grid3d.js +30 -8
  339. package/lib/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  340. package/lib/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  341. package/lib/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  342. package/lib/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  343. package/lib/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  344. package/lib/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  345. package/lib/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  346. package/lib/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  347. package/lib/mol-gl/renderer.js +77 -32
  348. package/lib/mol-gl/scene.js +2 -0
  349. package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  350. package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  351. package/lib/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  352. package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  353. package/lib/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  354. package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  355. package/lib/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  356. package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  357. package/lib/mol-gl/shader/cylinders.frag.d.ts +1 -1
  358. package/lib/mol-gl/shader/cylinders.frag.js +1 -1
  359. package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  360. package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
  361. package/lib/mol-gl/shader/image.frag.d.ts +1 -1
  362. package/lib/mol-gl/shader/image.frag.js +1 -1
  363. package/lib/mol-gl/shader/lines.frag.d.ts +1 -1
  364. package/lib/mol-gl/shader/lines.frag.js +1 -1
  365. package/lib/mol-gl/shader/mesh.frag.d.ts +1 -1
  366. package/lib/mol-gl/shader/mesh.frag.js +1 -1
  367. package/lib/mol-gl/shader/points.frag.d.ts +1 -1
  368. package/lib/mol-gl/shader/points.frag.js +1 -1
  369. package/lib/mol-gl/shader/spheres.frag.d.ts +1 -1
  370. package/lib/mol-gl/shader/spheres.frag.js +1 -1
  371. package/lib/mol-gl/shader/text.frag.d.ts +1 -1
  372. package/lib/mol-gl/shader/text.frag.js +1 -1
  373. package/lib/mol-gl/shader-code.d.ts +1 -1
  374. package/lib/mol-gl/shader-code.js +41 -9
  375. package/lib/mol-gl/webgl/compat.d.ts +34 -1
  376. package/lib/mol-gl/webgl/compat.js +48 -1
  377. package/lib/mol-gl/webgl/context.d.ts +2 -0
  378. package/lib/mol-gl/webgl/context.js +3 -0
  379. package/lib/mol-gl/webgl/extensions.d.ts +3 -2
  380. package/lib/mol-gl/webgl/extensions.js +7 -2
  381. package/lib/mol-gl/webgl/timer.d.ts +22 -0
  382. package/lib/mol-gl/webgl/timer.js +164 -0
  383. package/lib/mol-io/common/binary-cif/array-encoder.js +18 -18
  384. package/lib/mol-io/common/binary-cif/decoder.js +16 -16
  385. package/lib/mol-io/common/binary-cif/encoding.js +9 -9
  386. package/lib/mol-io/reader/cif/binary/field.js +3 -3
  387. package/lib/mol-io/reader/cif/data-model.js +14 -14
  388. package/lib/mol-io/reader/cif/schema.js +1 -1
  389. package/lib/mol-io/reader/cif/text/parser.js +23 -23
  390. package/lib/mol-io/reader/common/text/column/fixed.js +1 -1
  391. package/lib/mol-io/reader/common/text/column/token.js +1 -1
  392. package/lib/mol-io/reader/common/text/number-parser.js +6 -6
  393. package/lib/mol-io/reader/csv/parser.js +8 -8
  394. package/lib/mol-io/writer/cif/encoder/binary.js +10 -10
  395. package/lib/mol-io/writer/cif/encoder/text.js +7 -7
  396. package/lib/mol-io/writer/cif/encoder.js +8 -8
  397. package/lib/mol-io/writer/mol2/encoder.js +4 -4
  398. package/lib/mol-math/geometry/gaussian-density/gpu.js +13 -2
  399. package/lib/mol-model/sequence/alignment/sequence.js +3 -3
  400. package/lib/mol-model/sequence/sequence.js +9 -9
  401. package/lib/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  402. package/lib/mol-model/structure/export/categories/secondary-structure.js +2 -2
  403. package/lib/mol-model/structure/export/categories/utils.js +1 -1
  404. package/lib/mol-model/structure/model/model.js +2 -2
  405. package/lib/mol-model/structure/model/properties/custom/indexed.js +6 -6
  406. package/lib/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  407. package/lib/mol-model/structure/model/types.js +116 -116
  408. package/lib/mol-model/structure/query/context.js +1 -1
  409. package/lib/mol-model/structure/query/queries/generators.js +5 -5
  410. package/lib/mol-model/structure/query/queries/internal.js +4 -4
  411. package/lib/mol-model/structure/query/queries/modifiers.js +4 -4
  412. package/lib/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  413. package/lib/mol-model/structure/query/utils/structure-distance.js +9 -9
  414. package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +3 -1
  415. package/lib/mol-model/structure/structure/carbohydrates/constants.js +190 -107
  416. package/lib/mol-model/structure/structure/element/loci.js +5 -5
  417. package/lib/mol-model/structure/structure/element/stats.js +5 -5
  418. package/lib/mol-model/structure/structure/properties.js +5 -5
  419. package/lib/mol-model/structure/structure/structure.js +11 -11
  420. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  421. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  422. package/lib/mol-model/structure/structure/unit/bonds.js +2 -2
  423. package/lib/mol-model/structure/structure/unit/resonance.js +1 -1
  424. package/lib/mol-model/structure/structure/unit/rings/compute.js +6 -6
  425. package/lib/mol-model/structure/structure/unit/rings.js +6 -6
  426. package/lib/mol-model/structure/structure/unit.js +16 -16
  427. package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  428. package/lib/mol-model/structure/util.js +4 -4
  429. package/lib/mol-model-formats/structure/basic/atomic.js +2 -2
  430. package/lib/mol-model-formats/structure/basic/parser.js +4 -4
  431. package/lib/mol-model-formats/structure/basic/properties.js +1 -1
  432. package/lib/mol-model-formats/structure/basic/sort.js +1 -1
  433. package/lib/mol-model-formats/structure/basic/util.js +1 -1
  434. package/lib/mol-model-formats/structure/cif-core.js +6 -6
  435. package/lib/mol-model-formats/structure/common/entity.js +1 -1
  436. package/lib/mol-model-formats/structure/cube.js +1 -1
  437. package/lib/mol-model-formats/structure/gro.js +1 -1
  438. package/lib/mol-model-formats/structure/mol.js +1 -1
  439. package/lib/mol-model-formats/structure/mol2.js +4 -4
  440. package/lib/mol-model-formats/structure/prmtop.js +1 -1
  441. package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  442. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  443. package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  444. package/lib/mol-model-formats/structure/property/secondary-structure.js +8 -8
  445. package/lib/mol-model-formats/structure/psf.js +1 -1
  446. package/lib/mol-model-formats/structure/top.js +1 -1
  447. package/lib/mol-model-formats/structure/xyz.js +1 -1
  448. package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  449. package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  450. package/lib/mol-model-props/computed/accessible-surface-area.js +2 -2
  451. package/lib/mol-model-props/computed/chemistry/functional-group.js +31 -31
  452. package/lib/mol-model-props/computed/chemistry/geometry.js +22 -22
  453. package/lib/mol-model-props/computed/chemistry/valence-model.js +32 -32
  454. package/lib/mol-model-props/computed/interactions/charged.js +39 -39
  455. package/lib/mol-model-props/computed/interactions/common.js +34 -34
  456. package/lib/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  457. package/lib/mol-model-props/computed/interactions/contacts.js +1 -1
  458. package/lib/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  459. package/lib/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  460. package/lib/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  461. package/lib/mol-model-props/computed/interactions/metal.js +26 -26
  462. package/lib/mol-model-props/computed/interactions/refine.js +20 -20
  463. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  464. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  465. package/lib/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  466. package/lib/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  467. package/lib/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  468. package/lib/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  469. package/lib/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  470. package/lib/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  471. package/lib/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  472. package/lib/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  473. package/lib/mol-model-props/computed/themes/interaction-type.js +10 -10
  474. package/lib/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  475. package/lib/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  476. package/lib/mol-model-props/sequence/sifts-mapping.js +1 -1
  477. package/lib/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  478. package/lib/mol-plugin/animation-loop.d.ts +2 -1
  479. package/lib/mol-plugin/animation-loop.js +18 -5
  480. package/lib/mol-plugin/behavior/dynamic/camera.js +12 -12
  481. package/lib/mol-plugin/behavior/dynamic/representation.js +7 -7
  482. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  483. package/lib/mol-plugin/config.d.ts +3 -0
  484. package/lib/mol-plugin/config.js +3 -1
  485. package/lib/mol-plugin/context.d.ts +2 -2
  486. package/lib/mol-plugin/context.js +3 -0
  487. package/lib/mol-plugin/state.d.ts +1 -14
  488. package/lib/mol-plugin/version.js +2 -2
  489. package/lib/mol-plugin-state/formats/volume.d.ts +12 -11
  490. package/lib/mol-plugin-state/formats/volume.js +20 -13
  491. package/lib/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  492. package/lib/mol-plugin-state/transforms/representation.js +2 -2
  493. package/lib/mol-plugin-ui/controls/parameters.d.ts +1 -1
  494. package/lib/mol-plugin-ui/controls.js +1 -1
  495. package/lib/mol-plugin-ui/sequence/polymer.js +1 -1
  496. package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
  497. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  498. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  499. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  500. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  501. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  502. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  503. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  504. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  505. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  506. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  507. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  508. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  509. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +128 -128
  510. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  511. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  512. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  513. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  514. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  515. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  516. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  517. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  518. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  519. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  520. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  521. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  522. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  523. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  524. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  525. package/lib/mol-plugin-ui/state/snapshots.js +1 -0
  526. package/lib/mol-plugin-ui/structure/focus.js +1 -1
  527. package/lib/mol-plugin-ui/viewport/screenshot.js +1 -0
  528. package/lib/mol-plugin-ui/viewport.d.ts +2 -2
  529. package/lib/mol-repr/shape/representation.d.ts +1 -1
  530. package/lib/mol-repr/shape/representation.js +2 -1
  531. package/lib/mol-repr/structure/complex-visual.d.ts +1 -1
  532. package/lib/mol-repr/structure/complex-visual.js +2 -1
  533. package/lib/mol-repr/structure/units-visual.d.ts +1 -1
  534. package/lib/mol-repr/structure/units-visual.js +2 -1
  535. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  536. package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  537. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -15
  538. package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +12 -15
  539. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  540. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  541. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  542. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  543. package/lib/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  544. package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  545. package/lib/mol-repr/structure/visual/util/bond.js +2 -2
  546. package/lib/mol-repr/structure/visual/util/common.js +3 -3
  547. package/lib/mol-repr/structure/visual/util/link.js +30 -30
  548. package/lib/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  549. package/lib/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  550. package/lib/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  551. package/lib/mol-repr/structure/visual/util/polymer.js +6 -6
  552. package/lib/mol-repr/volume/representation.d.ts +1 -1
  553. package/lib/mol-repr/volume/representation.js +2 -1
  554. package/lib/mol-script/language/builder.d.ts +1 -0
  555. package/lib/mol-script/language/symbol-table/core.d.ts +2 -2
  556. package/lib/mol-script/runtime/query/table.js +13 -13
  557. package/lib/mol-state/object.d.ts +3 -3
  558. package/lib/mol-task/util/user-timing.js +1 -1
  559. package/lib/mol-theme/clipping.js +19 -19
  560. package/lib/mol-theme/color/atom-id.js +1 -1
  561. package/lib/mol-theme/color/carbohydrate-symbol.js +1 -1
  562. package/lib/mol-theme/color/chain-id.js +4 -4
  563. package/lib/mol-theme/color/element-index.js +1 -1
  564. package/lib/mol-theme/color/element-symbol.js +1 -1
  565. package/lib/mol-theme/color/entity-id.js +4 -4
  566. package/lib/mol-theme/color/entity-source.js +5 -4
  567. package/lib/mol-theme/color/hydrophobicity.js +1 -1
  568. package/lib/mol-theme/color/illustrative.js +1 -1
  569. package/lib/mol-theme/color/model-index.js +1 -1
  570. package/lib/mol-theme/color/molecule-type.js +8 -8
  571. package/lib/mol-theme/color/occupancy.js +1 -1
  572. package/lib/mol-theme/color/operator-hkl.js +1 -1
  573. package/lib/mol-theme/color/operator-name.js +1 -1
  574. package/lib/mol-theme/color/partial-charge.js +1 -1
  575. package/lib/mol-theme/color/polymer-id.js +4 -4
  576. package/lib/mol-theme/color/polymer-index.js +1 -1
  577. package/lib/mol-theme/color/residue-name.js +1 -1
  578. package/lib/mol-theme/color/secondary-structure.js +12 -12
  579. package/lib/mol-theme/color/sequence-id.js +7 -7
  580. package/lib/mol-theme/color/shape-group.js +1 -1
  581. package/lib/mol-theme/color/uncertainty.js +1 -1
  582. package/lib/mol-theme/color/uniform.js +1 -1
  583. package/lib/mol-theme/color/unit-index.js +1 -1
  584. package/lib/mol-theme/color/volume-value.js +1 -1
  585. package/lib/mol-theme/label.js +3 -3
  586. package/lib/mol-util/binding.js +4 -4
  587. package/lib/mol-util/debug.d.ts +6 -1
  588. package/lib/mol-util/debug.js +9 -1
  589. package/lib/mol-util/input/input-observer.js +20 -20
  590. package/lib/mol-util/string-builder.js +1 -1
  591. package/lib/servers/model/preprocess/converter.js +1 -1
  592. package/lib/servers/model/server/query.js +1 -1
  593. package/lib/servers/model/utils/fetch-retry.js +3 -2
  594. package/lib/servers/volume/server/algebra/coordinate.js +6 -6
  595. package/lib/servers/volume/server/query/encode.js +1 -1
  596. package/package.json +162 -162
@@ -1,107 +1,110 @@
1
- <!DOCTYPE html>
2
- <html lang="en">
3
- <head>
4
- <meta charset="utf-8" />
5
- <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
6
- <link rel="icon" href="./favicon.ico" type="image/x-icon">
7
- <title>Mol* Viewer</title>
8
- <style>
9
- * {
10
- margin: 0;
11
- padding: 0;
12
- box-sizing: border-box;
13
- }
14
- html, body {
15
- width: 100%;
16
- height: 100%;
17
- overflow: hidden;
18
- }
19
- hr {
20
- margin: 10px;
21
- }
22
- h1, h2, h3, h4, h5 {
23
- margin-top: 5px;
24
- margin-bottom: 3px;
25
- }
26
- button {
27
- padding: 2px;
28
- }
29
- #app {
30
- position: absolute;
31
- left: 100px;
32
- top: 100px;
33
- width: 800px;
34
- height: 600px;
35
- }
36
- </style>
37
- <link rel="stylesheet" type="text/css" href="molstar.css" />
38
- </head>
39
- <body>
40
- <div id="app"></div>
41
- <script type="text/javascript" src="./molstar.js"></script>
42
- <script type="text/javascript">
43
- function getParam(name, regex) {
44
- var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
45
- return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
46
- }
47
-
48
- var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
49
- if (debugMode) molstar.setDebugMode(debugMode, debugMode);
50
-
51
- var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
52
- var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
53
- var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
54
- var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
55
- var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
56
- var pixelScale = getParam('pixel-scale', '[^&]+').trim();
57
- var pickScale = getParam('pick-scale', '[^&]+').trim();
58
- var pickPadding = getParam('pick-padding', '[^&]+').trim();
59
- var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
60
- var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
61
-
62
- molstar.Viewer.create('app', {
63
- layoutShowControls: !hideControls,
64
- viewportShowExpand: false,
65
- collapseLeftPanel: collapseLeftPanel,
66
- pdbProvider: pdbProvider || 'pdbe',
67
- emdbProvider: emdbProvider || 'pdbe',
68
- volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
69
- ? 'https://maps.rcsb.org'
70
- : 'https://www.ebi.ac.uk/pdbe/densities',
71
- pixelScale: parseFloat(pixelScale) || 1,
72
- pickScale: parseFloat(pickScale) || 0.25,
73
- pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
74
- enableWboit: disableWboit ? false : void 0, // use default value if disable-wboit is not set
75
- preferWebgl1: preferWebgl1,
76
- }).then(viewer => {
77
- var snapshotId = getParam('snapshot-id', '[^&]+').trim();
78
- if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
79
-
80
- var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
81
- var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
82
- if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
83
-
84
- var structureUrl = getParam('structure-url', '[^&]+').trim();
85
- var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
86
- var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
87
- if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
88
-
89
- var pdb = getParam('pdb', '[^&]+').trim();
90
- if (pdb) viewer.loadPdb(pdb);
91
-
92
- var pdbDev = getParam('pdb-dev', '[^&]+').trim();
93
- if (pdbDev) viewer.loadPdbDev(pdbDev);
94
-
95
- var emdb = getParam('emdb', '[^&]+').trim();
96
- if (emdb) viewer.loadEmdb(emdb);
97
-
98
- var afdb = getParam('afdb', '[^&]+').trim();
99
- if (afdb) viewer.loadAlphaFoldDb(afdb);
100
-
101
- var modelArchive = getParam('model-archive', '[^&]+').trim();
102
- if (modelArchive) viewer.loadModelArchive(modelArchive);
103
- });
104
- </script>
105
- <!-- __MOLSTAR_ANALYTICS__ -->
106
- </body>
1
+ <!DOCTYPE html>
2
+ <html lang="en">
3
+ <head>
4
+ <meta charset="utf-8" />
5
+ <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
6
+ <link rel="icon" href="./favicon.ico" type="image/x-icon">
7
+ <title>Mol* Viewer</title>
8
+ <style>
9
+ * {
10
+ margin: 0;
11
+ padding: 0;
12
+ box-sizing: border-box;
13
+ }
14
+ html, body {
15
+ width: 100%;
16
+ height: 100%;
17
+ overflow: hidden;
18
+ }
19
+ hr {
20
+ margin: 10px;
21
+ }
22
+ h1, h2, h3, h4, h5 {
23
+ margin-top: 5px;
24
+ margin-bottom: 3px;
25
+ }
26
+ button {
27
+ padding: 2px;
28
+ }
29
+ #app {
30
+ position: absolute;
31
+ left: 100px;
32
+ top: 100px;
33
+ width: 800px;
34
+ height: 600px;
35
+ }
36
+ </style>
37
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
38
+ </head>
39
+ <body>
40
+ <div id="app"></div>
41
+ <script type="text/javascript" src="./molstar.js"></script>
42
+ <script type="text/javascript">
43
+ function getParam(name, regex) {
44
+ var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
45
+ return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
46
+ }
47
+
48
+ var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
49
+ if (debugMode) molstar.setDebugMode(debugMode);
50
+
51
+ var timingMode = getParam('timing-mode', '[^&]+').trim() === '1';
52
+ if (timingMode) molstar.setTimingMode(timingMode);
53
+
54
+ var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
55
+ var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
56
+ var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
57
+ var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
58
+ var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
59
+ var pixelScale = getParam('pixel-scale', '[^&]+').trim();
60
+ var pickScale = getParam('pick-scale', '[^&]+').trim();
61
+ var pickPadding = getParam('pick-padding', '[^&]+').trim();
62
+ var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
63
+ var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
64
+
65
+ molstar.Viewer.create('app', {
66
+ layoutShowControls: !hideControls,
67
+ viewportShowExpand: false,
68
+ collapseLeftPanel: collapseLeftPanel,
69
+ pdbProvider: pdbProvider || 'pdbe',
70
+ emdbProvider: emdbProvider || 'pdbe',
71
+ volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
72
+ ? 'https://maps.rcsb.org'
73
+ : 'https://www.ebi.ac.uk/pdbe/densities',
74
+ pixelScale: parseFloat(pixelScale) || 1,
75
+ pickScale: parseFloat(pickScale) || 0.25,
76
+ pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
77
+ enableWboit: disableWboit ? false : void 0, // use default value if disable-wboit is not set
78
+ preferWebgl1: preferWebgl1,
79
+ }).then(viewer => {
80
+ var snapshotId = getParam('snapshot-id', '[^&]+').trim();
81
+ if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
82
+
83
+ var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
84
+ var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
85
+ if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
86
+
87
+ var structureUrl = getParam('structure-url', '[^&]+').trim();
88
+ var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
89
+ var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
90
+ if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
91
+
92
+ var pdb = getParam('pdb', '[^&]+').trim();
93
+ if (pdb) viewer.loadPdb(pdb);
94
+
95
+ var pdbDev = getParam('pdb-dev', '[^&]+').trim();
96
+ if (pdbDev) viewer.loadPdbDev(pdbDev);
97
+
98
+ var emdb = getParam('emdb', '[^&]+').trim();
99
+ if (emdb) viewer.loadEmdb(emdb);
100
+
101
+ var afdb = getParam('afdb', '[^&]+').trim();
102
+ if (afdb) viewer.loadAlphaFoldDb(afdb);
103
+
104
+ var modelArchive = getParam('model-archive', '[^&]+').trim();
105
+ if (modelArchive) viewer.loadModelArchive(modelArchive);
106
+ });
107
+ </script>
108
+ <!-- __MOLSTAR_ANALYTICS__ -->
109
+ </body>
107
110
  </html>