molstar 3.0.1 → 3.0.2

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 (1754) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +194 -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/viewer/embedded.html +43 -43
  8. package/lib/apps/viewer/index.html +106 -106
  9. package/lib/commonjs/apps/docking-viewer/index.js +253 -0
  10. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  11. package/lib/commonjs/apps/docking-viewer/viewport.js +326 -0
  12. package/lib/commonjs/apps/viewer/app.d.ts +3 -3
  13. package/lib/commonjs/cli/chem-comp-dict/create-ions.d.ts +7 -0
  14. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +68 -0
  15. package/lib/commonjs/cli/chem-comp-dict/create-table.d.ts +7 -0
  16. package/lib/commonjs/cli/chem-comp-dict/create-table.js +282 -0
  17. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +146 -0
  18. package/lib/commonjs/cli/chem-comp-dict/util.js +144 -0
  19. package/lib/commonjs/cli/cif2bcif/converter.d.ts +8 -0
  20. package/lib/commonjs/cli/cif2bcif/converter.js +187 -0
  21. package/lib/commonjs/cli/cif2bcif/index.d.ts +8 -0
  22. package/lib/commonjs/cli/cif2bcif/index.js +81 -0
  23. package/lib/commonjs/cli/cifschema/index.d.ts +7 -0
  24. package/lib/commonjs/cli/cifschema/index.js +397 -0
  25. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +11 -0
  26. package/lib/commonjs/cli/cifschema/util/cif-dic.js +456 -0
  27. package/lib/commonjs/cli/cifschema/util/generate.d.ts +7 -0
  28. package/lib/commonjs/cli/cifschema/util/generate.js +158 -0
  29. package/lib/commonjs/cli/cifschema/util/helper.d.ts +10 -0
  30. package/lib/commonjs/cli/cifschema/util/helper.js +22 -0
  31. package/lib/commonjs/cli/cifschema/util/schema.d.ts +70 -0
  32. package/lib/commonjs/cli/cifschema/util/schema.js +64 -0
  33. package/lib/commonjs/cli/lipid-params/index.d.ts +7 -0
  34. package/lib/commonjs/cli/lipid-params/index.js +104 -0
  35. package/lib/commonjs/cli/state-docs/index.js +64 -0
  36. package/lib/commonjs/cli/state-docs/pd-to-md.js +80 -0
  37. package/lib/commonjs/cli/structure-info/helpers.d.ts +7 -0
  38. package/lib/commonjs/cli/structure-info/helpers.js +92 -0
  39. package/lib/commonjs/cli/structure-info/model.js +336 -0
  40. package/lib/commonjs/cli/structure-info/volume.js +115 -0
  41. package/lib/commonjs/examples/alpha-orbitals/controls.js +25 -0
  42. package/lib/commonjs/examples/alpha-orbitals/example-data.js +60260 -0
  43. package/lib/commonjs/examples/alpha-orbitals/index.js +230 -0
  44. package/lib/commonjs/examples/basic-wrapper/coloring.js +31 -0
  45. package/lib/commonjs/examples/basic-wrapper/controls.js +23 -0
  46. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +49 -0
  47. package/lib/commonjs/examples/basic-wrapper/index.js +265 -0
  48. package/lib/commonjs/examples/basic-wrapper/superposition.js +191 -0
  49. package/lib/commonjs/examples/domain-annotation-server/mapping.d.ts +6 -0
  50. package/lib/commonjs/examples/domain-annotation-server/mapping.js +111 -0
  51. package/lib/commonjs/examples/domain-annotation-server/schemas.d.ts +103 -0
  52. package/lib/commonjs/examples/domain-annotation-server/schemas.js +73 -0
  53. package/lib/commonjs/examples/domain-annotation-server/server.d.ts +6 -0
  54. package/lib/commonjs/examples/domain-annotation-server/server.js +65 -0
  55. package/lib/commonjs/examples/domain-annotation-server/test.d.ts +6 -0
  56. package/lib/commonjs/examples/domain-annotation-server/test.js +28 -0
  57. package/lib/commonjs/examples/lighting/index.js +145 -0
  58. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +88 -0
  59. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +97 -0
  60. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +109 -0
  61. package/lib/commonjs/examples/proteopedia-wrapper/index.js +498 -0
  62. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +19 -0
  63. package/lib/commonjs/examples/task.d.ts +19 -0
  64. package/lib/commonjs/examples/task.js +221 -0
  65. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +134 -0
  66. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +69 -0
  67. package/lib/commonjs/extensions/alpha-orbitals/density.js +113 -0
  68. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +157 -0
  69. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.d.ts +7 -0
  70. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +11 -0
  71. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +121 -0
  72. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.d.ts +11 -0
  73. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +66 -0
  74. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +261 -0
  75. package/lib/commonjs/extensions/anvil/algorithm.js +578 -0
  76. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  77. package/lib/commonjs/extensions/anvil/behavior.js +209 -0
  78. package/lib/commonjs/extensions/anvil/prop.js +82 -0
  79. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  80. package/lib/commonjs/extensions/anvil/representation.js +118 -0
  81. package/lib/commonjs/extensions/cellpack/color/generate.js +86 -0
  82. package/lib/commonjs/extensions/cellpack/color/provided.js +68 -0
  83. package/lib/commonjs/extensions/cellpack/curve.d.ts +9 -0
  84. package/lib/commonjs/extensions/cellpack/curve.js +203 -0
  85. package/lib/commonjs/extensions/cellpack/data.d.ts +107 -0
  86. package/lib/commonjs/extensions/cellpack/data.js +8 -0
  87. package/lib/commonjs/extensions/cellpack/index.js +39 -0
  88. package/lib/commonjs/extensions/cellpack/model.js +903 -0
  89. package/lib/commonjs/extensions/cellpack/preset.js +109 -0
  90. package/lib/commonjs/extensions/cellpack/property.js +31 -0
  91. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  92. package/lib/commonjs/extensions/cellpack/representation.js +47 -0
  93. package/lib/commonjs/extensions/cellpack/state.js +397 -0
  94. package/lib/commonjs/extensions/cellpack/util.js +181 -0
  95. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  96. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +121 -0
  97. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +178 -0
  98. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +160 -0
  99. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
  100. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +159 -0
  101. package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +27 -0
  102. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +234 -0
  103. package/lib/commonjs/extensions/dnatco/index.js +12 -0
  104. package/lib/commonjs/extensions/g3d/data.js +71 -0
  105. package/lib/commonjs/extensions/g3d/format.js +232 -0
  106. package/lib/commonjs/extensions/g3d/model.js +215 -0
  107. package/lib/commonjs/extensions/geo-export/controls.js +109 -0
  108. package/lib/commonjs/extensions/geo-export/glb-exporter.js +323 -0
  109. package/lib/commonjs/extensions/geo-export/index.js +36 -0
  110. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +457 -0
  111. package/lib/commonjs/extensions/geo-export/obj-exporter.js +212 -0
  112. package/lib/commonjs/extensions/geo-export/render-object-exporter.js +8 -0
  113. package/lib/commonjs/extensions/geo-export/stl-exporter.js +131 -0
  114. package/lib/commonjs/extensions/geo-export/ui.js +116 -0
  115. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +222 -0
  116. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
  117. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
  118. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
  119. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
  120. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
  121. package/lib/commonjs/extensions/model-export/export.js +129 -0
  122. package/lib/commonjs/extensions/model-export/index.js +36 -0
  123. package/lib/commonjs/extensions/model-export/ui.js +77 -0
  124. package/lib/commonjs/extensions/mp4-export/controls.js +142 -0
  125. package/lib/commonjs/extensions/mp4-export/encoder.js +119 -0
  126. package/lib/commonjs/extensions/mp4-export/index.js +36 -0
  127. package/lib/commonjs/extensions/mp4-export/ui.js +94 -0
  128. package/lib/commonjs/extensions/pdbe/index.js +15 -0
  129. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +98 -0
  130. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +128 -0
  131. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +75 -0
  132. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +113 -0
  133. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +288 -0
  134. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
  135. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +255 -0
  136. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
  137. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +101 -0
  138. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +220 -0
  139. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  140. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +363 -0
  141. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +215 -0
  142. package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.d.ts +1 -0
  143. package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +5 -0
  144. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +12874 -0
  145. package/lib/commonjs/extensions/rcsb/graphql/types.js +3 -0
  146. package/lib/commonjs/extensions/rcsb/index.js +13 -0
  147. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  148. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +421 -0
  149. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +79 -0
  150. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +110 -0
  151. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +67 -0
  152. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +490 -0
  153. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
  154. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +243 -0
  155. package/lib/commonjs/mol-canvas3d/camera/stereo.js +129 -0
  156. package/lib/commonjs/mol-canvas3d/camera/transition.js +103 -0
  157. package/lib/commonjs/mol-canvas3d/camera/util.d.ts +31 -0
  158. package/lib/commonjs/mol-canvas3d/camera/util.js +94 -0
  159. package/lib/commonjs/mol-canvas3d/camera.js +334 -0
  160. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  161. package/lib/commonjs/mol-canvas3d/controls/object.js +49 -0
  162. package/lib/commonjs/mol-canvas3d/controls/trackball.js +426 -0
  163. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +157 -0
  164. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
  165. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +217 -0
  166. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  167. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +184 -0
  168. package/lib/commonjs/mol-canvas3d/helper/helper.js +33 -0
  169. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +94 -0
  170. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  171. package/lib/commonjs/mol-canvas3d/passes/marking.js +131 -0
  172. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
  173. package/lib/commonjs/mol-canvas3d/passes/smaa.js +167 -0
  174. package/lib/commonjs/mol-canvas3d/passes/wboit.d.ts +23 -0
  175. package/lib/commonjs/mol-canvas3d/passes/wboit.js +115 -0
  176. package/lib/commonjs/mol-canvas3d/util.d.ts +10 -0
  177. package/lib/commonjs/mol-canvas3d/util.js +70 -0
  178. package/lib/commonjs/mol-data/db/column-helpers.d.ts +19 -0
  179. package/lib/commonjs/mol-data/db/column-helpers.js +44 -0
  180. package/lib/commonjs/mol-data/db/column.d.ts +135 -0
  181. package/lib/commonjs/mol-data/db/column.js +425 -0
  182. package/lib/commonjs/mol-data/db/database.d.ts +25 -0
  183. package/lib/commonjs/mol-data/db/database.js +40 -0
  184. package/lib/commonjs/mol-data/db/table.d.ts +57 -0
  185. package/lib/commonjs/mol-data/db/table.js +302 -0
  186. package/lib/commonjs/mol-data/db.d.ts +14 -0
  187. package/lib/commonjs/mol-data/db.js +19 -0
  188. package/lib/commonjs/mol-data/generic/hash-set.d.ts +12 -0
  189. package/lib/commonjs/mol-data/generic/hash-set.js +52 -0
  190. package/lib/commonjs/mol-data/generic/linked-list.d.ts +26 -0
  191. package/lib/commonjs/mol-data/generic/linked-list.js +95 -0
  192. package/lib/commonjs/mol-data/generic/unique-array.d.ts +15 -0
  193. package/lib/commonjs/mol-data/generic/unique-array.js +31 -0
  194. package/lib/commonjs/mol-data/generic.d.ts +8 -0
  195. package/lib/commonjs/mol-data/generic.js +12 -0
  196. package/lib/commonjs/mol-data/index.d.ts +11 -0
  197. package/lib/commonjs/mol-data/index.js +20 -0
  198. package/lib/commonjs/mol-data/int/impl/interval.d.ts +30 -0
  199. package/lib/commonjs/mol-data/int/impl/interval.js +84 -0
  200. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +40 -0
  201. package/lib/commonjs/mol-data/int/impl/ordered-set.js +423 -0
  202. package/lib/commonjs/mol-data/int/impl/segmentation.d.ts +41 -0
  203. package/lib/commonjs/mol-data/int/impl/segmentation.js +109 -0
  204. package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +45 -0
  205. package/lib/commonjs/mol-data/int/impl/sorted-array.js +477 -0
  206. package/lib/commonjs/mol-data/int/interval.d.ts +53 -0
  207. package/lib/commonjs/mol-data/int/interval.js +56 -0
  208. package/lib/commonjs/mol-data/int/linked-index.d.ts +13 -0
  209. package/lib/commonjs/mol-data/int/linked-index.js +48 -0
  210. package/lib/commonjs/mol-data/int/map.d.ts +25 -0
  211. package/lib/commonjs/mol-data/int/map.js +50 -0
  212. package/lib/commonjs/mol-data/int/ordered-set.d.ts +55 -0
  213. package/lib/commonjs/mol-data/int/ordered-set.js +80 -0
  214. package/lib/commonjs/mol-data/int/segmentation.d.ts +32 -0
  215. package/lib/commonjs/mol-data/int/segmentation.js +22 -0
  216. package/lib/commonjs/mol-data/int/sorted-array.d.ts +49 -0
  217. package/lib/commonjs/mol-data/int/sorted-array.js +52 -0
  218. package/lib/commonjs/mol-data/int/sorted-ranges.d.ts +42 -0
  219. package/lib/commonjs/mol-data/int/sorted-ranges.js +125 -0
  220. package/lib/commonjs/mol-data/int/tuple.d.ts +28 -0
  221. package/lib/commonjs/mol-data/int/tuple.js +86 -0
  222. package/lib/commonjs/mol-data/int.d.ts +14 -0
  223. package/lib/commonjs/mol-data/int.js +25 -0
  224. package/lib/commonjs/mol-data/iterator.d.ts +25 -0
  225. package/lib/commonjs/mol-data/iterator.js +113 -0
  226. package/lib/commonjs/mol-data/util/array.d.ts +19 -0
  227. package/lib/commonjs/mol-data/util/array.js +56 -0
  228. package/lib/commonjs/mol-data/util/buckets.d.ts +16 -0
  229. package/lib/commonjs/mol-data/util/buckets.js +81 -0
  230. package/lib/commonjs/mol-data/util/chunked-array.d.ts +49 -0
  231. package/lib/commonjs/mol-data/util/chunked-array.js +175 -0
  232. package/lib/commonjs/mol-data/util/combination.d.ts +17 -0
  233. package/lib/commonjs/mol-data/util/combination.js +61 -0
  234. package/lib/commonjs/mol-data/util/equivalence-classes.d.ts +16 -0
  235. package/lib/commonjs/mol-data/util/equivalence-classes.js +52 -0
  236. package/lib/commonjs/mol-data/util/grouping.d.ts +23 -0
  237. package/lib/commonjs/mol-data/util/grouping.js +53 -0
  238. package/lib/commonjs/mol-data/util/hash-functions.d.ts +26 -0
  239. package/lib/commonjs/mol-data/util/hash-functions.js +96 -0
  240. package/lib/commonjs/mol-data/util/interval-iterator.d.ts +19 -0
  241. package/lib/commonjs/mol-data/util/interval-iterator.js +45 -0
  242. package/lib/commonjs/mol-data/util/sort.d.ts +12 -0
  243. package/lib/commonjs/mol-data/util/sort.js +164 -0
  244. package/lib/commonjs/mol-data/util.d.ts +12 -0
  245. package/lib/commonjs/mol-data/util.js +16 -0
  246. package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
  247. package/lib/commonjs/mol-geo/geometry/base.js +152 -0
  248. package/lib/commonjs/mol-geo/geometry/clipping-data.js +55 -0
  249. package/lib/commonjs/mol-geo/geometry/color-data.js +235 -0
  250. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders-builder.js +114 -0
  251. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
  252. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +197 -0
  253. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
  254. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +220 -0
  255. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +15 -0
  256. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +61 -0
  257. package/lib/commonjs/mol-geo/geometry/geometry.js +89 -0
  258. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  259. package/lib/commonjs/mol-geo/geometry/image/image.js +176 -0
  260. package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +110 -0
  261. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +2 -1
  262. package/lib/commonjs/mol-geo/geometry/lines/lines.js +195 -0
  263. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +24 -0
  264. package/lib/commonjs/mol-geo/geometry/marker-data.js +103 -0
  265. package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +32 -0
  266. package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +100 -0
  267. package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +119 -0
  268. package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +24 -0
  269. package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +85 -0
  270. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +187 -0
  271. package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +30 -0
  272. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +175 -0
  273. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +325 -0
  274. package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.d.ts +5 -0
  275. package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.js +75 -0
  276. package/lib/commonjs/mol-geo/geometry/mesh/mesh-builder.js +154 -0
  277. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  278. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +638 -0
  279. package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +23 -0
  280. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +68 -0
  281. package/lib/commonjs/mol-geo/geometry/picking.d.ts +13 -0
  282. package/lib/commonjs/mol-geo/geometry/picking.js +16 -0
  283. package/lib/commonjs/mol-geo/geometry/points/points-builder.js +35 -0
  284. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
  285. package/lib/commonjs/mol-geo/geometry/points/points.js +175 -0
  286. package/lib/commonjs/mol-geo/geometry/size-data.js +123 -0
  287. package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +58 -0
  288. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  289. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +180 -0
  290. package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
  291. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +124 -0
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  1640. package/lib/commonjs/servers/model/utils/fetch-retry.js +43 -0
  1641. package/lib/commonjs/servers/model/utils/tar.d.ts +22 -0
  1642. package/lib/commonjs/servers/model/utils/tar.js +179 -0
  1643. package/lib/commonjs/servers/model/utils/writer.d.ts +77 -0
  1644. package/lib/commonjs/servers/model/utils/writer.js +223 -0
  1645. package/lib/commonjs/servers/model/version.d.ts +6 -0
  1646. package/lib/commonjs/servers/model/version.js +10 -0
  1647. package/lib/commonjs/servers/plugin-state/api-schema.d.ts +107 -0
  1648. package/lib/commonjs/servers/plugin-state/api-schema.js +135 -0
  1649. package/lib/commonjs/servers/plugin-state/config.d.ts +12 -0
  1650. package/lib/commonjs/servers/plugin-state/config.js +25 -0
  1651. package/lib/commonjs/servers/plugin-state/index.d.ts +6 -0
  1652. package/lib/commonjs/servers/plugin-state/index.js +208 -0
  1653. package/lib/commonjs/servers/plugin-state/version.d.ts +1 -0
  1654. package/lib/commonjs/servers/plugin-state/version.js +5 -0
  1655. package/lib/commonjs/servers/volume/common/binary-schema.d.ts +42 -0
  1656. package/lib/commonjs/servers/volume/common/binary-schema.js +176 -0
  1657. package/lib/commonjs/servers/volume/common/data-format.d.ts +53 -0
  1658. package/lib/commonjs/servers/volume/common/data-format.js +70 -0
  1659. package/lib/commonjs/servers/volume/common/file.d.ts +12 -0
  1660. package/lib/commonjs/servers/volume/common/file.js +86 -0
  1661. package/lib/commonjs/servers/volume/config.d.ts +47 -0
  1662. package/lib/commonjs/servers/volume/config.js +197 -0
  1663. package/lib/commonjs/servers/volume/pack/data-model.js +43 -0
  1664. package/lib/commonjs/servers/volume/pack/downsampling.js +168 -0
  1665. package/lib/commonjs/servers/volume/pack/format/ccp4.js +72 -0
  1666. package/lib/commonjs/servers/volume/pack/format/dsn6.js +76 -0
  1667. package/lib/commonjs/servers/volume/pack/format.js +82 -0
  1668. package/lib/commonjs/servers/volume/pack/main.js +186 -0
  1669. package/lib/commonjs/servers/volume/pack/sampling.js +272 -0
  1670. package/lib/commonjs/servers/volume/pack/version.d.ts +1 -0
  1671. package/lib/commonjs/servers/volume/pack/version.js +5 -0
  1672. package/lib/commonjs/servers/volume/pack/writer.js +86 -0
  1673. package/lib/commonjs/servers/volume/pack.js +62 -0
  1674. package/lib/commonjs/servers/volume/query.d.ts +10 -0
  1675. package/lib/commonjs/servers/volume/query.js +79 -0
  1676. package/lib/commonjs/servers/volume/server/algebra/box.d.ts +32 -0
  1677. package/lib/commonjs/servers/volume/server/algebra/box.js +123 -0
  1678. package/lib/commonjs/servers/volume/server/algebra/coordinate.d.ts +65 -0
  1679. package/lib/commonjs/servers/volume/server/algebra/coordinate.js +137 -0
  1680. package/lib/commonjs/servers/volume/server/api.d.ts +20 -0
  1681. package/lib/commonjs/servers/volume/server/api.js +115 -0
  1682. package/lib/commonjs/servers/volume/server/local-api.d.ts +36 -0
  1683. package/lib/commonjs/servers/volume/server/local-api.js +145 -0
  1684. package/lib/commonjs/servers/volume/server/query/compose.d.ts +9 -0
  1685. package/lib/commonjs/servers/volume/server/query/compose.js +124 -0
  1686. package/lib/commonjs/servers/volume/server/query/data-model.d.ts +91 -0
  1687. package/lib/commonjs/servers/volume/server/query/data-model.js +10 -0
  1688. package/lib/commonjs/servers/volume/server/query/encode.d.ts +9 -0
  1689. package/lib/commonjs/servers/volume/server/query/encode.js +162 -0
  1690. package/lib/commonjs/servers/volume/server/query/execute.d.ts +9 -0
  1691. package/lib/commonjs/servers/volume/server/query/execute.js +254 -0
  1692. package/lib/commonjs/servers/volume/server/query/identify.d.ts +11 -0
  1693. package/lib/commonjs/servers/volume/server/query/identify.js +112 -0
  1694. package/lib/commonjs/servers/volume/server/state.d.ts +12 -0
  1695. package/lib/commonjs/servers/volume/server/state.js +16 -0
  1696. package/lib/commonjs/servers/volume/server/version.d.ts +2 -0
  1697. package/lib/commonjs/servers/volume/server/version.js +6 -0
  1698. package/lib/commonjs/servers/volume/server/web-api.d.ts +10 -0
  1699. package/lib/commonjs/servers/volume/server/web-api.js +226 -0
  1700. package/lib/commonjs/servers/volume/server/web-schema.d.ts +245 -0
  1701. package/lib/commonjs/servers/volume/server/web-schema.js +263 -0
  1702. package/lib/commonjs/servers/volume/server.d.ts +10 -0
  1703. package/lib/commonjs/servers/volume/server.js +59 -0
  1704. package/lib/examples/alpha-orbitals/index.html +61 -61
  1705. package/lib/examples/basic-wrapper/index.html +137 -137
  1706. package/lib/examples/lighting/index.html +88 -88
  1707. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  1708. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  1709. package/lib/mol-geo/geometry/lines/lines.d.ts +1 -0
  1710. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  1711. package/lib/mol-math/geometry/primitives/sphere3d.d.ts +1 -1
  1712. package/lib/mol-math/geometry/primitives/sphere3d.js +17 -4
  1713. package/lib/mol-model/structure/structure/element/loci.d.ts +1 -1
  1714. package/lib/mol-model/structure/structure/element/loci.js +4 -2
  1715. package/lib/mol-plugin/behavior/dynamic/representation.d.ts +1 -1
  1716. package/lib/mol-plugin/behavior/dynamic/representation.js +11 -6
  1717. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -2
  1718. package/lib/mol-plugin/behavior/static/representation.js +1 -1
  1719. package/lib/mol-plugin/version.js +2 -2
  1720. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  1721. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  1722. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  1723. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  1724. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  1725. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  1726. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  1727. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  1728. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  1729. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  1730. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  1731. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  1732. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
  1733. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  1734. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  1735. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  1736. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  1737. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  1738. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  1739. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  1740. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  1741. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  1742. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  1743. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  1744. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  1745. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  1746. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  1747. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  1748. package/lib/mol-repr/shape/loci/common.d.ts +1 -1
  1749. package/lib/mol-repr/shape/loci/common.js +3 -3
  1750. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -1
  1751. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +2 -2
  1752. package/lib/mol-script/language/builder.d.ts +0 -1
  1753. package/lib/mol-state/transform.js +12 -2
  1754. package/package.json +160 -160
@@ -1,237 +1,237 @@
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
- <title>Mol* Proteopedia Wrapper</title>
7
- <style>
8
- * {
9
- margin: 0;
10
- padding: 0;
11
- box-sizing: border-box;
12
- }
13
- #app {
14
- position: absolute;
15
- left: 160px;
16
- top: 100px;
17
- width: 600px;
18
- height: 600px;
19
- border: 1px solid #ccc;
20
- }
21
-
22
- #controls {
23
- position: absolute;
24
- width: 130px;
25
- top: 10px;
26
- left: 10px;
27
- }
28
-
29
- #controls > button {
30
- display: block;
31
- width: 100%;
32
- text-align: left;
33
- }
34
-
35
- #controls > hr {
36
- margin: 5px 0;
37
- }
38
-
39
- #controls > input, #controls > select {
40
- width: 100%;
41
- display: block;
42
- }
43
-
44
- #volume-streaming-wrapper {
45
- position: absolute;
46
- top: 100px;
47
- left: 780px;
48
- width: 300px;
49
- }
50
- </style>
51
- <link rel="stylesheet" type="text/css" href="molstar.css" />
52
- <script type="text/javascript" src="./index.js"></script>
53
- </head>
54
- <body>
55
- <div id='controls'>
56
- <h3>Source</h3>
57
- <input type='text' id='url' placeholder='url' style='width: 400px' />
58
- <input type='text' id='assemblyId' placeholder='assembly id' />
59
- <select id='format'>
60
- <option value='cif' selected>CIF</option>
61
- <option value='pdb'>PDB</option>
62
- </select>
63
- <input type='checkbox' id='isBinary' style="display: inline-block; width: auto" /> <label for="isBinary"> Binary</label><br />
64
- </div>
65
- <div id="app"></div>
66
- <div id="volume-streaming-wrapper"></div>
67
- <script>
68
- // it might be a good idea to define these colors in a separate script file
69
- var CustomColors = [0x00ff00, 0x0000ff];
70
-
71
- // create an instance of the plugin
72
- var PluginWrapper = new MolStarProteopediaWrapper();
73
-
74
- console.log('Wrapper version', MolStarProteopediaWrapper.VERSION_MAJOR, MolStarProteopediaWrapper.VERSION_MINOR);
75
-
76
- function $(id) { return document.getElementById(id); }
77
-
78
- var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
79
- var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
80
- var format = 'cif';
81
-
82
- $('url').value = url;
83
- $('url').onchange = function (e) { url = e.target.value; }
84
- $('assemblyId').value = assemblyId;
85
- $('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
86
- $('format').value = format;
87
- $('format').onchange = function (e) { format = e.target.value; }
88
- $('isBinary').checked = isBinary;
89
- $('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
90
-
91
- function loadAndSnapshot(params) {
92
- PluginWrapper.load(params).then(() => {
93
- setTimeout(() => snapshot = PluginWrapper.plugin.state.getSnapshot({ canvas3d: false /* do not save spinning state */ }), 500);
94
- });
95
- }
96
-
97
- var representationStyle = {
98
- // sequence: { coloring: 'proteopedia-custom' }, // or just { }
99
- hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
100
- water: { hide: true },
101
- snfg3d: { hide: false }
102
- };
103
-
104
- PluginWrapper.init('app' /** or document.getElementById('app') */, {
105
- customColorList: CustomColors
106
- }).then(() => {
107
- PluginWrapper.setBackground(0xffffff);
108
- loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
109
- PluginWrapper.toggleSpin();
110
- });
111
-
112
- PluginWrapper.events.modelInfo.subscribe(function (info) {
113
- console.log('Model Info', info);
114
- listHetGroups(info);
115
- });
116
-
117
- addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
118
- addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
119
-
120
- addSeparator();
121
-
122
- addHeader('Representation');
123
-
124
- addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
125
- addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
126
-
127
- addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
128
- addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
129
-
130
- addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
131
- addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
132
-
133
- addControl('Hide Water', () => PluginWrapper.updateStyle({ water: { hide: true } }, true));
134
- addControl('Show Water', () => PluginWrapper.updateStyle({ water: { hide: false } }, true));
135
-
136
- addSeparator();
137
-
138
- addHeader('Camera');
139
- addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
140
- addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
141
- // Same as "wheel icon" and Viewport options
142
- // addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
143
- // addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
144
-
145
- addSeparator();
146
-
147
- addHeader('Animation');
148
-
149
- // adjust this number to make the animation faster or slower
150
- // requires to "restart" the animation if changed
151
- PluginWrapper.animate.modelIndex.targetFps = 30;
152
-
153
- addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
154
- addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
155
- addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
156
- addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
157
- addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
158
-
159
- addSeparator();
160
- addHeader('Misc');
161
-
162
- addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
163
- addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
164
- addControl('Default Visuals', () => PluginWrapper.updateStyle());
165
-
166
- addSeparator();
167
- addHeader('HET Groups');
168
-
169
- addControl('Reset', () => PluginWrapper.hetGroups.reset());
170
- addHetGroupsContainer();
171
-
172
- addSeparator();
173
- addHeader('Exp. Data');
174
- addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
175
- addControl('Remove', () => PluginWrapper.experimentalData.remove());
176
-
177
- addSeparator();
178
- addHeader('State');
179
-
180
- var snapshot;
181
- addControl('Set Snapshot', () => {
182
- // const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
183
- snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
184
- // console.log(JSON.stringify(snapshot, null, 2));
185
- });
186
- addControl('Restore Snapshot', () => {
187
- if (!snapshot) return;
188
- PluginWrapper.snapshot.set(snapshot);
189
- });
190
- addControl('Download State', () => {
191
- PluginWrapper.snapshot.download('molj');
192
- });
193
- addControl('Download Session', () => {
194
- PluginWrapper.snapshot.download('molx');
195
- });
196
-
197
- ////////////////////////////////////////////////////////
198
-
199
- function addHetGroupsContainer() {
200
- var div = document.createElement('div');
201
- div.id = 'het-groups';
202
- $('controls').appendChild(div);
203
- }
204
-
205
- function addControl(label, action) {
206
- var btn = document.createElement('button');
207
- btn.onclick = action;
208
- btn.innerText = label;
209
- $('controls').appendChild(btn);
210
- }
211
-
212
- function addSeparator() {
213
- var hr = document.createElement('hr');
214
- $('controls').appendChild(hr);
215
- }
216
-
217
- function addHeader(header) {
218
- var h = document.createElement('h3');
219
- h.innerText = header;
220
- $('controls').appendChild(h);
221
- }
222
-
223
- function listHetGroups(info) {
224
- var div = $('het-groups');
225
- div.innerHTML = '';
226
- info.hetResidues.forEach(function (r) {
227
- var l = document.createElement('button');
228
- l.innerText = r.name;
229
- l.onclick = function () {
230
- PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
231
- };
232
- div.appendChild(l);
233
- });
234
- }
235
- </script>
236
- </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
+ <title>Mol* Proteopedia Wrapper</title>
7
+ <style>
8
+ * {
9
+ margin: 0;
10
+ padding: 0;
11
+ box-sizing: border-box;
12
+ }
13
+ #app {
14
+ position: absolute;
15
+ left: 160px;
16
+ top: 100px;
17
+ width: 600px;
18
+ height: 600px;
19
+ border: 1px solid #ccc;
20
+ }
21
+
22
+ #controls {
23
+ position: absolute;
24
+ width: 130px;
25
+ top: 10px;
26
+ left: 10px;
27
+ }
28
+
29
+ #controls > button {
30
+ display: block;
31
+ width: 100%;
32
+ text-align: left;
33
+ }
34
+
35
+ #controls > hr {
36
+ margin: 5px 0;
37
+ }
38
+
39
+ #controls > input, #controls > select {
40
+ width: 100%;
41
+ display: block;
42
+ }
43
+
44
+ #volume-streaming-wrapper {
45
+ position: absolute;
46
+ top: 100px;
47
+ left: 780px;
48
+ width: 300px;
49
+ }
50
+ </style>
51
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
52
+ <script type="text/javascript" src="./index.js"></script>
53
+ </head>
54
+ <body>
55
+ <div id='controls'>
56
+ <h3>Source</h3>
57
+ <input type='text' id='url' placeholder='url' style='width: 400px' />
58
+ <input type='text' id='assemblyId' placeholder='assembly id' />
59
+ <select id='format'>
60
+ <option value='cif' selected>CIF</option>
61
+ <option value='pdb'>PDB</option>
62
+ </select>
63
+ <input type='checkbox' id='isBinary' style="display: inline-block; width: auto" /> <label for="isBinary"> Binary</label><br />
64
+ </div>
65
+ <div id="app"></div>
66
+ <div id="volume-streaming-wrapper"></div>
67
+ <script>
68
+ // it might be a good idea to define these colors in a separate script file
69
+ var CustomColors = [0x00ff00, 0x0000ff];
70
+
71
+ // create an instance of the plugin
72
+ var PluginWrapper = new MolStarProteopediaWrapper();
73
+
74
+ console.log('Wrapper version', MolStarProteopediaWrapper.VERSION_MAJOR, MolStarProteopediaWrapper.VERSION_MINOR);
75
+
76
+ function $(id) { return document.getElementById(id); }
77
+
78
+ var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
79
+ var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
80
+ var format = 'cif';
81
+
82
+ $('url').value = url;
83
+ $('url').onchange = function (e) { url = e.target.value; }
84
+ $('assemblyId').value = assemblyId;
85
+ $('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
86
+ $('format').value = format;
87
+ $('format').onchange = function (e) { format = e.target.value; }
88
+ $('isBinary').checked = isBinary;
89
+ $('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
90
+
91
+ function loadAndSnapshot(params) {
92
+ PluginWrapper.load(params).then(() => {
93
+ setTimeout(() => snapshot = PluginWrapper.plugin.state.getSnapshot({ canvas3d: false /* do not save spinning state */ }), 500);
94
+ });
95
+ }
96
+
97
+ var representationStyle = {
98
+ // sequence: { coloring: 'proteopedia-custom' }, // or just { }
99
+ hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
100
+ water: { hide: true },
101
+ snfg3d: { hide: false }
102
+ };
103
+
104
+ PluginWrapper.init('app' /** or document.getElementById('app') */, {
105
+ customColorList: CustomColors
106
+ }).then(() => {
107
+ PluginWrapper.setBackground(0xffffff);
108
+ loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
109
+ PluginWrapper.toggleSpin();
110
+ });
111
+
112
+ PluginWrapper.events.modelInfo.subscribe(function (info) {
113
+ console.log('Model Info', info);
114
+ listHetGroups(info);
115
+ });
116
+
117
+ addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
118
+ addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
119
+
120
+ addSeparator();
121
+
122
+ addHeader('Representation');
123
+
124
+ addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
125
+ addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
126
+
127
+ addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
128
+ addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
129
+
130
+ addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
131
+ addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
132
+
133
+ addControl('Hide Water', () => PluginWrapper.updateStyle({ water: { hide: true } }, true));
134
+ addControl('Show Water', () => PluginWrapper.updateStyle({ water: { hide: false } }, true));
135
+
136
+ addSeparator();
137
+
138
+ addHeader('Camera');
139
+ addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
140
+ addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
141
+ // Same as "wheel icon" and Viewport options
142
+ // addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
143
+ // addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
144
+
145
+ addSeparator();
146
+
147
+ addHeader('Animation');
148
+
149
+ // adjust this number to make the animation faster or slower
150
+ // requires to "restart" the animation if changed
151
+ PluginWrapper.animate.modelIndex.targetFps = 30;
152
+
153
+ addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
154
+ addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
155
+ addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
156
+ addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
157
+ addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
158
+
159
+ addSeparator();
160
+ addHeader('Misc');
161
+
162
+ addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
163
+ addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
164
+ addControl('Default Visuals', () => PluginWrapper.updateStyle());
165
+
166
+ addSeparator();
167
+ addHeader('HET Groups');
168
+
169
+ addControl('Reset', () => PluginWrapper.hetGroups.reset());
170
+ addHetGroupsContainer();
171
+
172
+ addSeparator();
173
+ addHeader('Exp. Data');
174
+ addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
175
+ addControl('Remove', () => PluginWrapper.experimentalData.remove());
176
+
177
+ addSeparator();
178
+ addHeader('State');
179
+
180
+ var snapshot;
181
+ addControl('Set Snapshot', () => {
182
+ // const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
183
+ snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
184
+ // console.log(JSON.stringify(snapshot, null, 2));
185
+ });
186
+ addControl('Restore Snapshot', () => {
187
+ if (!snapshot) return;
188
+ PluginWrapper.snapshot.set(snapshot);
189
+ });
190
+ addControl('Download State', () => {
191
+ PluginWrapper.snapshot.download('molj');
192
+ });
193
+ addControl('Download Session', () => {
194
+ PluginWrapper.snapshot.download('molx');
195
+ });
196
+
197
+ ////////////////////////////////////////////////////////
198
+
199
+ function addHetGroupsContainer() {
200
+ var div = document.createElement('div');
201
+ div.id = 'het-groups';
202
+ $('controls').appendChild(div);
203
+ }
204
+
205
+ function addControl(label, action) {
206
+ var btn = document.createElement('button');
207
+ btn.onclick = action;
208
+ btn.innerText = label;
209
+ $('controls').appendChild(btn);
210
+ }
211
+
212
+ function addSeparator() {
213
+ var hr = document.createElement('hr');
214
+ $('controls').appendChild(hr);
215
+ }
216
+
217
+ function addHeader(header) {
218
+ var h = document.createElement('h3');
219
+ h.innerText = header;
220
+ $('controls').appendChild(h);
221
+ }
222
+
223
+ function listHetGroups(info) {
224
+ var div = $('het-groups');
225
+ div.innerHTML = '';
226
+ info.hetResidues.forEach(function (r) {
227
+ var l = document.createElement('button');
228
+ l.innerText = r.name;
229
+ l.onclick = function () {
230
+ PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
231
+ };
232
+ div.appendChild(l);
233
+ });
234
+ }
235
+ </script>
236
+ </body>
237
237
  </html>
@@ -48,8 +48,8 @@ export declare namespace Cylinders {
48
48
  alpha: PD.Numeric;
49
49
  quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
50
50
  material: PD.Group<PD.Normalize<{
51
- metalness: number;
52
- roughness: number; /** Number of cylinders */
51
+ metalness: number; /** Number of cylinders */
52
+ roughness: number;
53
53
  bumpiness: number;
54
54
  }>>;
55
55
  clip: PD.Group<PD.Normalize<{
@@ -44,6 +44,7 @@ export declare namespace Lines {
44
44
  material: PD.Group<PD.Normalize<{
45
45
  metalness: number;
46
46
  roughness: number;
47
+ /** Number of lines */
47
48
  bumpiness: number;
48
49
  }>>;
49
50
  clip: PD.Group<PD.Normalize<{
@@ -43,7 +43,7 @@ export declare namespace Points {
43
43
  quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
44
44
  material: PD.Group<PD.Normalize<{
45
45
  metalness: number;
46
- roughness: number; /** Number of vertices in the point cloud */
46
+ roughness: number;
47
47
  bumpiness: number;
48
48
  }>>;
49
49
  clip: PD.Group<PD.Normalize<{
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -7,6 +7,8 @@
7
7
  import { __spreadArray } from "tslib";
8
8
  import { Vec3, Mat4, EPSILON } from '../../linear-algebra';
9
9
  import { OrderedSet } from '../../../mol-data/int';
10
+ import { Axes3D } from './axes3d';
11
+ import { PrincipalAxes } from '../../linear-algebra/matrix/principal-axes';
10
12
  function Sphere3D() {
11
13
  return Sphere3D.zero();
12
14
  }
@@ -193,11 +195,22 @@ function Sphere3D() {
193
195
  return out;
194
196
  }
195
197
  if (hasExtrema(sphere)) {
198
+ var positions = new Float32Array(sphere.extrema.length * 3);
199
+ for (var i = 0; i < sphere.extrema.length; i++) {
200
+ Vec3.toArray(sphere.extrema[i], positions, i * 3);
201
+ }
202
+ var axes_1 = PrincipalAxes.calculateMomentsAxes(positions);
203
+ Axes3D.scale(axes_1, Axes3D.normalize(axes_1, axes_1), delta);
196
204
  setExtrema(out, sphere.extrema.map(function (e) {
197
205
  Vec3.sub(tmpDir, e, sphere.center);
198
- var dist = Vec3.distance(sphere.center, e);
199
- Vec3.normalize(tmpDir, tmpDir);
200
- return Vec3.scaleAndAdd(Vec3(), sphere.center, tmpDir, dist + delta);
206
+ var out = Vec3.clone(e);
207
+ var sA = Vec3.dot(tmpDir, axes_1.dirA) < 0 ? -1 : 1;
208
+ Vec3.scaleAndAdd(out, out, axes_1.dirA, sA);
209
+ var sB = Vec3.dot(tmpDir, axes_1.dirB) < 0 ? -1 : 1;
210
+ Vec3.scaleAndAdd(out, out, axes_1.dirB, sB);
211
+ var sC = Vec3.dot(tmpDir, axes_1.dirC) < 0 ? -1 : 1;
212
+ Vec3.scaleAndAdd(out, out, axes_1.dirC, sC);
213
+ return out;
201
214
  }));
202
215
  }
203
216
  return out;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -487,7 +487,9 @@ export function Loci(structure, elements) {
487
487
  if (!elementIndices)
488
488
  continue;
489
489
  var indices = getUnitIndices(unit.elements, elementIndices);
490
- elements[elements.length] = { unit: unit, indices: indices };
490
+ if (OrderedSet.size(indices)) {
491
+ elements[elements.length] = { unit: unit, indices: indices };
492
+ }
491
493
  }
492
494
  return Loci(loci.structure, elements);
493
495
  }
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -213,11 +213,16 @@ export var DefaultLociLabelProvider = PluginBehavior.create({
213
213
  this.f = {
214
214
  label: function (loci) {
215
215
  var label = [];
216
- if (StructureElement.Loci.is(loci) && loci.elements.length === 1) {
217
- var u = loci.elements[0].unit;
218
- var l = StructureElement.Location.create(loci.structure, u, u.elements[0]);
219
- var name_1 = StructureProperties.entity.pdbx_description(l).join(', ');
220
- label.push(name_1);
216
+ if (StructureElement.Loci.is(loci)) {
217
+ var entityNames = new Set();
218
+ for (var _i = 0, _a = loci.elements; _i < _a.length; _i++) {
219
+ var u = _a[_i].unit;
220
+ var l = StructureElement.Location.create(loci.structure, u, u.elements[0]);
221
+ var name_1 = StructureProperties.entity.pdbx_description(l).join(', ');
222
+ entityNames.add(name_1);
223
+ }
224
+ if (entityNames.size === 1)
225
+ entityNames.forEach(function (name) { return label.push(name); });
221
226
  }
222
227
  label.push(lociLabel(loci));
223
228
  return label.filter(function (l) { return !!l; }).join('</br>');
@@ -9,12 +9,12 @@ import { Volume } from '../../../../mol-model/volume';
9
9
  import { Structure } from '../../../../mol-model/structure';
10
10
  declare const VolumeServerInfo_base: {
11
11
  new (data: VolumeServerInfo.Data, props?: {
12
- /** Precision data the server can show. */
13
- label: string;
12
+ label: string; /** Precision data the server can show. */
14
13
  description?: string | undefined;
15
14
  } | undefined): {
16
15
  id: import("../../../../mol-util/uuid").UUID;
17
16
  type: PluginStateObject.TypeInfo;
17
+ /** The value are stored in blockSize^3 cubes */
18
18
  label: string;
19
19
  description?: string | undefined;
20
20
  data: VolumeServerInfo.Data;
@@ -23,6 +23,7 @@ declare const VolumeServerInfo_base: {
23
23
  is(obj?: import("../../../../mol-state/object").StateObject<any, import("../../../../mol-state/object").StateObject.Type<any>> | undefined): obj is {
24
24
  id: import("../../../../mol-util/uuid").UUID;
25
25
  type: PluginStateObject.TypeInfo;
26
+ /** The value are stored in blockSize^3 cubes */
26
27
  label: string;
27
28
  description?: string | undefined;
28
29
  data: VolumeServerInfo.Data;