molstar 4.3.0 → 4.4.1

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 (1384) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +197 -197
  3. package/build/viewer/embedded.html +52 -52
  4. package/build/viewer/index.html +129 -129
  5. package/build/viewer/molstar.css +1 -1
  6. package/build/viewer/molstar.js +1 -1
  7. package/build/viewer/molstar.js.LICENSE.txt +0 -9
  8. package/lib/apps/docking-viewer/index.html +36 -36
  9. package/lib/apps/docking-viewer/viewport.d.ts +1 -1
  10. package/lib/apps/docking-viewer/viewport.js +2 -1
  11. package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
  12. package/lib/apps/mesoscale-explorer/app.js +12 -1
  13. package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  14. package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
  15. package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  16. package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
  17. package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  18. package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
  19. package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  20. package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
  21. package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
  22. package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  23. package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
  24. package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  25. package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
  26. package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
  27. package/lib/apps/mesoscale-explorer/data/state.js +83 -8
  28. package/lib/apps/mesoscale-explorer/index.html +106 -101
  29. package/lib/apps/mesoscale-explorer/style.scss +66 -33
  30. package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  31. package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
  32. package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  33. package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
  34. package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  35. package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
  36. package/lib/apps/viewer/app.d.ts +10 -4
  37. package/lib/apps/viewer/app.js +28 -0
  38. package/lib/apps/viewer/embedded.html +52 -52
  39. package/lib/apps/viewer/index.html +129 -129
  40. package/lib/cli/chem-comp-dict/create-ions.js +9 -9
  41. package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
  42. package/lib/cli/cifschema/util/generate.js +12 -12
  43. package/lib/cli/lipid-params/index.js +9 -9
  44. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
  45. package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
  46. package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
  47. package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
  48. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  49. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
  50. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  51. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
  52. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  53. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
  54. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  55. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
  56. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
  57. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  58. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
  59. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  60. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
  61. package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
  62. package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
  63. package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
  64. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  65. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
  66. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  67. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
  68. package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  69. package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
  70. package/lib/commonjs/apps/viewer/app.d.ts +10 -4
  71. package/lib/commonjs/apps/viewer/app.js +28 -0
  72. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
  73. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
  74. package/lib/commonjs/cli/chem-comp-dict/util.js +7 -7
  75. package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
  76. package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
  77. package/lib/commonjs/cli/cifschema/util/generate.js +13 -14
  78. package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
  79. package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
  80. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  81. package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
  82. package/lib/commonjs/cli/structure-info/helpers.js +2 -3
  83. package/lib/commonjs/cli/structure-info/model.js +11 -12
  84. package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
  85. package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
  86. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
  87. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  88. package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
  89. package/lib/commonjs/examples/lighting/index.d.ts +1 -1
  90. package/lib/commonjs/examples/lighting/index.js +2 -1
  91. package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
  92. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
  93. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
  94. package/lib/commonjs/examples/task.js +6 -6
  95. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
  96. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
  97. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
  98. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
  99. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
  100. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
  101. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
  102. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
  103. package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
  104. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  105. package/lib/commonjs/extensions/anvil/behavior.js +2 -2
  106. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  107. package/lib/commonjs/extensions/anvil/representation.js +3 -3
  108. package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
  109. package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
  110. package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
  111. package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
  112. package/lib/commonjs/extensions/assembly-symmetry/prop.js +27 -27
  113. package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
  114. package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
  115. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  116. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
  117. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  118. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
  119. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +7 -7
  120. package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
  121. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  122. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
  123. package/lib/commonjs/extensions/g3d/data.js +2 -3
  124. package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
  125. package/lib/commonjs/extensions/g3d/model.js +5 -5
  126. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
  127. package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
  128. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
  129. package/lib/commonjs/extensions/meshes/examples.js +9 -9
  130. package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -6
  131. package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
  132. package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
  133. package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
  134. package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
  135. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
  136. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
  137. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
  138. package/lib/commonjs/extensions/model-export/export.js +2 -2
  139. package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
  140. package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
  141. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -2
  142. package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
  143. package/lib/commonjs/extensions/mvs/camera.js +4 -5
  144. package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
  145. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -32
  146. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
  147. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
  148. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
  149. package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
  150. package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
  151. package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
  152. package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
  153. package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
  154. package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
  155. package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
  156. package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
  157. package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
  158. package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
  159. package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
  160. package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
  161. package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
  162. package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
  163. package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
  164. package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
  165. package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
  166. package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
  167. package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
  168. package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
  169. package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
  170. package/lib/commonjs/extensions/mvs/load.js +1 -2
  171. package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
  172. package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
  173. package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
  174. package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
  175. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -8
  176. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
  177. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
  178. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
  179. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
  180. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
  181. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  182. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
  183. package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
  184. package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
  185. package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
  186. package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +2 -3
  187. package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +2 -2
  188. package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +6 -6
  189. package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +3 -3
  190. package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +2 -2
  191. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
  192. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
  193. package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
  194. package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
  195. package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
  196. package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
  197. package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
  198. package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
  199. package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
  200. package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
  201. package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
  202. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +9 -1
  203. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
  204. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  205. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  206. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  207. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  208. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -0
  209. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
  210. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
  211. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
  212. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +7 -2
  213. package/lib/commonjs/mol-canvas3d/util.js +3 -4
  214. package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
  215. package/lib/commonjs/mol-data/db/column.d.ts +1 -1
  216. package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
  217. package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
  218. package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
  219. package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
  220. package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
  221. package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
  222. package/lib/commonjs/mol-data/int/linked-index.js +1 -2
  223. package/lib/commonjs/mol-data/util/array.js +5 -6
  224. package/lib/commonjs/mol-data/util/buckets.js +1 -2
  225. package/lib/commonjs/mol-data/util/combination.js +2 -2
  226. package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
  227. package/lib/commonjs/mol-data/util/grouping.js +2 -3
  228. package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
  229. package/lib/commonjs/mol-data/util/sort.js +5 -6
  230. package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
  231. package/lib/commonjs/mol-geo/geometry/base.js +3 -3
  232. package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
  233. package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
  234. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
  235. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
  236. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
  237. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
  238. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
  239. package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
  240. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
  241. package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
  242. package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
  243. package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
  244. package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
  245. package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
  246. package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
  247. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
  248. package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
  249. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
  250. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
  251. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
  252. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
  253. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
  254. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  255. package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
  256. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  257. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
  258. package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
  259. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
  260. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
  261. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
  262. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
  263. package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
  264. package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
  265. package/lib/commonjs/mol-geo/primitive/box.js +3 -4
  266. package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
  267. package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
  268. package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
  269. package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
  270. package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
  271. package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
  272. package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
  273. package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
  274. package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
  275. package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
  276. package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
  277. package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
  278. package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
  279. package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
  280. package/lib/commonjs/mol-geo/primitive/star.js +2 -2
  281. package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
  282. package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
  283. package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
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  1383. package/lib/servers/volume/config.js +5 -5
  1384. package/package.json +197 -196
@@ -3,6 +3,7 @@
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
+ * @author Neli Fonseca <neli@ebi.ac.uk>
6
7
  */
7
8
  import { ANVILMembraneOrientation } from '../../extensions/anvil/behavior';
8
9
  import { Backgrounds } from '../../extensions/backgrounds';
@@ -41,6 +42,7 @@ import { PluginSpec } from '../../mol-plugin/spec';
41
42
  import { StateObjectRef } from '../../mol-state';
42
43
  import { Task } from '../../mol-task';
43
44
  import { Asset } from '../../mol-util/assets';
45
+ import { Color } from '../../mol-util/color';
44
46
  import '../../mol-util/polyfill';
45
47
  import { ObjectKeys } from '../../mol-util/type-helpers';
46
48
  export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
@@ -385,6 +387,32 @@ export class Viewer {
385
387
  await repr.commit();
386
388
  });
387
389
  }
390
+ loadFullResolutionEMDBMap(emdbId, options) {
391
+ const plugin = this.plugin;
392
+ const numericId = parseInt(emdbId.toUpperCase().replace('EMD-', ''));
393
+ const url = `https://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-${numericId}/map/emd_${numericId}.map.gz`;
394
+ return plugin.dataTransaction(async () => {
395
+ var _a, _b, _c;
396
+ const data = await plugin.build().toRoot()
397
+ .apply(StateTransforms.Data.Download, { url, isBinary: true, label: emdbId }, { state: { isGhost: true } })
398
+ .apply(StateTransforms.Data.DeflateData)
399
+ .commit();
400
+ const parsed = await plugin.dataFormats.get('ccp4').parse(plugin, data, { entryId: emdbId });
401
+ const firstVolume = (parsed.volume || parsed.volumes[0]);
402
+ if (!(firstVolume === null || firstVolume === void 0 ? void 0 : firstVolume.isOk))
403
+ throw new Error('Failed to parse any volume.');
404
+ const volume = (_b = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[0]) !== null && _b !== void 0 ? _b : parsed.volume;
405
+ await plugin.build()
406
+ .to(volume)
407
+ .apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data, {
408
+ type: 'isosurface',
409
+ typeParams: { alpha: 1, isoValue: options.isoValue },
410
+ color: 'uniform',
411
+ colorParams: { value: (_c = options.color) !== null && _c !== void 0 ? _c : Color(0x33BB33) }
412
+ }))
413
+ .commit();
414
+ });
415
+ }
388
416
  /**
389
417
  * @example
390
418
  * viewer.loadTrajectory({
@@ -1,53 +1,53 @@
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>Embedded Mol* Viewer</title>
8
- <style>
9
- #app {
10
- position: absolute;
11
- left: 100px;
12
- top: 100px;
13
- width: 800px;
14
- height: 600px;
15
- }
16
- </style>
17
- <link rel="stylesheet" type="text/css" href="molstar.css" />
18
- </head>
19
- <body>
20
- <div id="app"></div>
21
- <script type="text/javascript" src="./molstar.js"></script>
22
- <script type="text/javascript">
23
- molstar.Viewer.create('app', {
24
- layoutIsExpanded: true,
25
- layoutShowControls: false,
26
- layoutShowRemoteState: false,
27
- layoutShowSequence: true,
28
- layoutShowLog: false,
29
- layoutShowLeftPanel: true,
30
-
31
- viewportShowExpand: true,
32
- viewportShowSelectionMode: false,
33
- viewportShowAnimation: false,
34
-
35
- pdbProvider: 'rcsb',
36
- emdbProvider: 'rcsb',
37
- }).then(viewer => {
38
- viewer.loadPdb('7bv2');
39
- viewer.loadEmdb('EMD-30210', { detail: 6 });
40
- // viewer.loadAllModelsOrAssemblyFromUrl('https://cs.litemol.org/5ire/full', 'mmcif', false, { representationParams: { theme: { globalName: 'operator-name' } } })
41
- // viewer.loadStructureFromUrl('my url', 'pdb', false, {
42
- // representationParams: {
43
- // theme: {
44
- // globalName: 'uniform',
45
- // globalColorParams: { value: 0xff0000 }
46
- // }
47
- // },
48
- // label: 'my structure'
49
- // });
50
- });
51
- </script>
52
- </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>Embedded Mol* Viewer</title>
8
+ <style>
9
+ #app {
10
+ position: absolute;
11
+ left: 100px;
12
+ top: 100px;
13
+ width: 800px;
14
+ height: 600px;
15
+ }
16
+ </style>
17
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
18
+ </head>
19
+ <body>
20
+ <div id="app"></div>
21
+ <script type="text/javascript" src="./molstar.js"></script>
22
+ <script type="text/javascript">
23
+ molstar.Viewer.create('app', {
24
+ layoutIsExpanded: true,
25
+ layoutShowControls: false,
26
+ layoutShowRemoteState: false,
27
+ layoutShowSequence: true,
28
+ layoutShowLog: false,
29
+ layoutShowLeftPanel: true,
30
+
31
+ viewportShowExpand: true,
32
+ viewportShowSelectionMode: false,
33
+ viewportShowAnimation: false,
34
+
35
+ pdbProvider: 'rcsb',
36
+ emdbProvider: 'rcsb',
37
+ }).then(viewer => {
38
+ viewer.loadPdb('7bv2');
39
+ viewer.loadEmdb('EMD-30210', { detail: 6 });
40
+ // viewer.loadAllModelsOrAssemblyFromUrl('https://cs.litemol.org/5ire/full', 'mmcif', false, { representationParams: { theme: { globalName: 'operator-name' } } })
41
+ // viewer.loadStructureFromUrl('my url', 'pdb', false, {
42
+ // representationParams: {
43
+ // theme: {
44
+ // globalName: 'uniform',
45
+ // globalColorParams: { value: 0xff0000 }
46
+ // }
47
+ // },
48
+ // label: 'my structure'
49
+ // });
50
+ });
51
+ </script>
52
+ </body>
53
53
  </html>
@@ -1,130 +1,130 @@
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 transparency = getParam('transparency', '[^&]+').trim().toLowerCase();
63
- var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
64
- var allowMajorPerformanceCaveat = getParam('allow-major-performance-caveat', '[^&]+').trim() === '1';
65
- var powerPreference = getParam('power-preference', '[^&]+').trim().toLowerCase();
66
-
67
- // console.log('Available extensions: ', Object.keys(molstar.ExtensionMap));
68
-
69
- molstar.Viewer.create('app', {
70
- disabledExtensions: [], // anything from Object.keys(molstar.ExtensionMap)
71
- layoutShowControls: !hideControls,
72
- viewportShowExpand: false,
73
- collapseLeftPanel: collapseLeftPanel,
74
- pdbProvider: pdbProvider || 'pdbe',
75
- emdbProvider: emdbProvider || 'pdbe',
76
- volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
77
- ? 'https://maps.rcsb.org'
78
- : 'https://www.ebi.ac.uk/pdbe/densities',
79
- pixelScale: parseFloat(pixelScale) || 1,
80
- pickScale: parseFloat(pickScale) || 0.25,
81
- pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
82
- transparency: transparency || undefined,
83
- preferWebgl1: preferWebgl1,
84
- allowMajorPerformanceCaveat: allowMajorPerformanceCaveat,
85
- powerPreference: powerPreference || 'high-performance',
86
- }).then(viewer => {
87
- var snapshotId = getParam('snapshot-id', '[^&]+').trim();
88
- if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
89
-
90
- var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
91
- var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
92
- if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
93
-
94
- var structureUrl = getParam('structure-url', '[^&]+').trim();
95
- var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
96
- var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
97
- if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
98
-
99
- var mvsUrl = getParam('mvs-url', '[^&]+').trim();
100
- var mvsData = getParam('mvs-data', '[^&]+').trim();
101
- var mvsFormat = getParam('mvs-format', '[^&]+').trim() || 'mvsj';
102
- if (mvsUrl && mvsData) console.error('Cannot specify mvs-url and mvs-data URL parameters at the same time. Ignoring both.');
103
- else if (mvsUrl) viewer.loadMvsFromUrl(mvsUrl, mvsFormat);
104
- else if (mvsData) viewer.loadMvsData(mvsData, mvsFormat);
105
-
106
-
107
- var pdb = getParam('pdb', '[^&]+').trim();
108
- if (pdb) viewer.loadPdb(pdb);
109
-
110
- var pdbDev = getParam('pdb-dev', '[^&]+').trim();
111
- if (pdbDev) viewer.loadPdbDev(pdbDev);
112
-
113
- var emdb = getParam('emdb', '[^&]+').trim();
114
- if (emdb) viewer.loadEmdb(emdb);
115
-
116
- var afdb = getParam('afdb', '[^&]+').trim();
117
- if (afdb) viewer.loadAlphaFoldDb(afdb);
118
-
119
- var modelArchive = getParam('model-archive', '[^&]+').trim();
120
- if (modelArchive) viewer.loadModelArchive(modelArchive);
121
-
122
- window.addEventListener('unload', () => {
123
- // to aid GC
124
- viewer.dispose();
125
- });
126
- });
127
- </script>
128
- <!-- __MOLSTAR_ANALYTICS__ -->
129
- </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 transparency = getParam('transparency', '[^&]+').trim().toLowerCase();
63
+ var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
64
+ var allowMajorPerformanceCaveat = getParam('allow-major-performance-caveat', '[^&]+').trim() === '1';
65
+ var powerPreference = getParam('power-preference', '[^&]+').trim().toLowerCase();
66
+
67
+ // console.log('Available extensions: ', Object.keys(molstar.ExtensionMap));
68
+
69
+ molstar.Viewer.create('app', {
70
+ disabledExtensions: [], // anything from Object.keys(molstar.ExtensionMap)
71
+ layoutShowControls: !hideControls,
72
+ viewportShowExpand: false,
73
+ collapseLeftPanel: collapseLeftPanel,
74
+ pdbProvider: pdbProvider || 'pdbe',
75
+ emdbProvider: emdbProvider || 'pdbe',
76
+ volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
77
+ ? 'https://maps.rcsb.org'
78
+ : 'https://www.ebi.ac.uk/pdbe/densities',
79
+ pixelScale: parseFloat(pixelScale) || 1,
80
+ pickScale: parseFloat(pickScale) || 0.25,
81
+ pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
82
+ transparency: transparency || undefined,
83
+ preferWebgl1: preferWebgl1,
84
+ allowMajorPerformanceCaveat: allowMajorPerformanceCaveat,
85
+ powerPreference: powerPreference || 'high-performance',
86
+ }).then(viewer => {
87
+ var snapshotId = getParam('snapshot-id', '[^&]+').trim();
88
+ if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
89
+
90
+ var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
91
+ var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
92
+ if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
93
+
94
+ var structureUrl = getParam('structure-url', '[^&]+').trim();
95
+ var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
96
+ var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
97
+ if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
98
+
99
+ var mvsUrl = getParam('mvs-url', '[^&]+').trim();
100
+ var mvsData = getParam('mvs-data', '[^&]+').trim();
101
+ var mvsFormat = getParam('mvs-format', '[^&]+').trim() || 'mvsj';
102
+ if (mvsUrl && mvsData) console.error('Cannot specify mvs-url and mvs-data URL parameters at the same time. Ignoring both.');
103
+ else if (mvsUrl) viewer.loadMvsFromUrl(mvsUrl, mvsFormat);
104
+ else if (mvsData) viewer.loadMvsData(mvsData, mvsFormat);
105
+
106
+
107
+ var pdb = getParam('pdb', '[^&]+').trim();
108
+ if (pdb) viewer.loadPdb(pdb);
109
+
110
+ var pdbDev = getParam('pdb-dev', '[^&]+').trim();
111
+ if (pdbDev) viewer.loadPdbDev(pdbDev);
112
+
113
+ var emdb = getParam('emdb', '[^&]+').trim();
114
+ if (emdb) viewer.loadEmdb(emdb);
115
+
116
+ var afdb = getParam('afdb', '[^&]+').trim();
117
+ if (afdb) viewer.loadAlphaFoldDb(afdb);
118
+
119
+ var modelArchive = getParam('model-archive', '[^&]+').trim();
120
+ if (modelArchive) viewer.loadModelArchive(modelArchive);
121
+
122
+ window.addEventListener('unload', () => {
123
+ // to aid GC
124
+ viewer.dispose();
125
+ });
126
+ });
127
+ </script>
128
+ <!-- __MOLSTAR_ANALYTICS__ -->
129
+ </body>
130
130
  </html>
@@ -25,15 +25,15 @@ function extractIonNames(ccd) {
25
25
  return ionNames;
26
26
  }
27
27
  function writeIonNamesFile(filePath, ionNames) {
28
- const output = `/**
29
- * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
30
- *
31
- * Code-generated ion names params file. Names extracted from CCD components.
32
- *
33
- * @author molstar/chem-comp-dict/create-ions cli
34
- */
35
-
36
- export const IonNames = new Set(${JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', ')});
28
+ const output = `/**
29
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
30
+ *
31
+ * Code-generated ion names params file. Names extracted from CCD components.
32
+ *
33
+ * @author molstar/chem-comp-dict/create-ions cli
34
+ */
35
+
36
+ export const IonNames = new Set(${JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', ')});
37
37
  `;
38
38
  writeFile(filePath, output);
39
39
  }
@@ -26,15 +26,15 @@ function extractSaccharideNames(ccd) {
26
26
  return saccharideNames;
27
27
  }
28
28
  function writeSaccharideNamesFile(filePath, ionNames) {
29
- const output = `/**
30
- * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
31
- *
32
- * Code-generated ion names params file. Names extracted from CCD components.
33
- *
34
- * @author molstar/cli/chem-comp-dict/create-saccharides
35
- */
36
-
37
- export const SaccharideNames = new Set(${JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', ')});
29
+ const output = `/**
30
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
31
+ *
32
+ * Code-generated ion names params file. Names extracted from CCD components.
33
+ *
34
+ * @author molstar/cli/chem-comp-dict/create-saccharides
35
+ */
36
+
37
+ export const SaccharideNames = new Set(${JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', ')});
38
38
  `;
39
39
  writeFile(filePath, output);
40
40
  }
@@ -6,21 +6,21 @@
6
6
  import { indentString } from '../../../mol-util/string';
7
7
  import { FieldPath } from '../../../mol-io/reader/cif/schema';
8
8
  function header(name, info, moldataImportPath) {
9
- return `/**
10
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
11
- *
12
- * Code-generated '${name}' schema file. ${info}
13
- *
14
- * @author molstar/ciftools package
15
- */
16
-
17
- import { Database, Column } from '${moldataImportPath}/db';
18
-
9
+ return `/**
10
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
11
+ *
12
+ * Code-generated '${name}' schema file. ${info}
13
+ *
14
+ * @author molstar/ciftools package
15
+ */
16
+
17
+ import { Database, Column } from '${moldataImportPath}/db';
18
+
19
19
  import Schema = Column.Schema;`;
20
20
  }
21
21
  function footer(name) {
22
- return `
23
- export type ${name}_Schema = typeof ${name}_Schema;
22
+ return `
23
+ export type ${name}_Schema = typeof ${name}_Schema;
24
24
  export interface ${name}_Database extends Database<${name}_Schema> {};`;
25
25
  }
26
26
  function getTypeShorthands(schema, fields) {
@@ -41,15 +41,15 @@ async function run(out) {
41
41
  }
42
42
  const lipidNames = JSON.stringify(lipids.array);
43
43
  if (out) {
44
- const output = `/**
45
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
46
- *
47
- * Code-generated lipid params file. Names extracted from Martini FF lipids itp.
48
- *
49
- * @author molstar/lipid-params cli
50
- */
51
-
52
- export const LipidNames = new Set(${lipidNames.replace(/"/g, "'").replace(/,/g, ', ')});
44
+ const output = `/**
45
+ * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
46
+ *
47
+ * Code-generated lipid params file. Names extracted from Martini FF lipids itp.
48
+ *
49
+ * @author molstar/lipid-params cli
50
+ */
51
+
52
+ export const LipidNames = new Set(${lipidNames.replace(/"/g, "'").replace(/,/g, ', ')});
53
53
  `;
54
54
  fs.writeFileSync(out, output);
55
55
  }
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2020-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2020-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -3,7 +3,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.ViewportComponent = exports.ShowButtons = exports.IllustrativePreset = exports.StructurePreset = void 0;
4
4
  const jsx_runtime_1 = require("react/jsx-runtime");
5
5
  /**
6
- * Copyright (c) 2020-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
6
+ * Copyright (c) 2020-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
7
7
  *
8
8
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
9
9
  */
@@ -45,6 +45,7 @@ function occlusionStyle(plugin) {
45
45
  ...plugin.canvas3d.props.postprocessing,
46
46
  occlusion: { name: 'on', params: {
47
47
  blurKernelSize: 15,
48
+ blurDepthBias: 0.5,
48
49
  multiScale: { name: 'off', params: {} },
49
50
  radius: 5,
50
51
  bias: 0.8,
@@ -24,12 +24,13 @@ export type MesoscaleExplorerState = {
24
24
  examples?: ExampleEntry[];
25
25
  graphicsMode: GraphicsMode;
26
26
  stateRef?: string;
27
+ driver?: any;
27
28
  stateCache: {
28
29
  [k: string]: any;
29
30
  };
30
31
  };
31
32
  declare const DefaultMesoscaleExplorerOptions: {
32
- customFormats: [string, DataFormatProvider<any, any, any>][];
33
+ customFormats: [string, DataFormatProvider][];
33
34
  extensions: ("mp4-export" | "backgrounds")[];
34
35
  layoutIsExpanded: boolean;
35
36
  layoutShowControls: boolean;
@@ -60,6 +61,7 @@ declare const DefaultMesoscaleExplorerOptions: {
60
61
  emdbProvider: import("../../mol-plugin-state/actions/volume").EmdbDownloadProvider | undefined;
61
62
  saccharideCompIdMapType: SaccharideCompIdMapType;
62
63
  graphicsMode: GraphicsMode;
64
+ driver: undefined;
63
65
  };
64
66
  type MesoscaleExplorerOptions = typeof DefaultMesoscaleExplorerOptions;
65
67
  export declare class MesoscaleExplorer {
@@ -27,6 +27,7 @@ const assets_1 = require("../../mol-util/assets");
27
27
  const camera_spin_1 = require("../../mol-plugin-state/animation/built-in/camera-spin");
28
28
  const camera_rock_1 = require("../../mol-plugin-state/animation/built-in/camera-rock");
29
29
  const state_snapshots_1 = require("../../mol-plugin-state/animation/built-in/state-snapshots");
30
+ const entities_1 = require("./ui/entities");
30
31
  var version_1 = require("../../mol-plugin/version");
31
32
  Object.defineProperty(exports, "version", { enumerable: true, get: function () { return version_1.PLUGIN_VERSION; } });
32
33
  var debug_1 = require("../../mol-util/debug");
@@ -70,7 +71,8 @@ const DefaultMesoscaleExplorerOptions = {
70
71
  pdbProvider: config_1.PluginConfig.Download.DefaultPdbProvider.defaultValue,
71
72
  emdbProvider: config_1.PluginConfig.Download.DefaultEmdbProvider.defaultValue,
72
73
  saccharideCompIdMapType: 'default',
73
- graphicsMode: 'quality'
74
+ graphicsMode: 'quality',
75
+ driver: undefined
74
76
  };
75
77
  class MesoscaleExplorer {
76
78
  constructor(plugin) {
@@ -142,6 +144,9 @@ class MesoscaleExplorer {
142
144
  right: panels_1.RightPanel,
143
145
  },
144
146
  remoteState: 'none',
147
+ viewport: {
148
+ snapshotDescription: entities_1.MesoViewportSnapshotDescription,
149
+ }
145
150
  },
146
151
  config: [
147
152
  [config_1.PluginConfig.General.DisableAntialiasing, o.disableAntialiasing],
@@ -179,6 +184,11 @@ class MesoscaleExplorer {
179
184
  let examples = undefined;
180
185
  try {
181
186
  examples = await plugin.fetch({ url: './examples/list.json', type: 'json' }).run();
187
+ // extend the array with file tour.json if it exists
188
+ const tour = await plugin.fetch({ url: './examples/tour.json', type: 'json' }).run();
189
+ if (tour) {
190
+ examples = examples === null || examples === void 0 ? void 0 : examples.concat(tour);
191
+ }
182
192
  }
183
193
  catch (e) {
184
194
  console.log(e);
@@ -186,6 +196,7 @@ class MesoscaleExplorer {
186
196
  plugin.customState = {
187
197
  examples,
188
198
  graphicsMode: o.graphicsMode,
199
+ driver: o.driver,
189
200
  stateCache: {},
190
201
  };
191
202
  await state_1.MesoscaleState.init(plugin);