molstar 4.0.1 → 4.2.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (907) 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.js +1 -1
  6. package/build/viewer/molstar.js.LICENSE.txt +0 -9
  7. package/lib/apps/docking-viewer/index.html +36 -36
  8. package/lib/apps/docking-viewer/viewport.d.ts +8 -8
  9. package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
  10. package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
  11. package/lib/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
  12. package/lib/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
  13. package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
  14. package/lib/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
  15. package/lib/apps/mesoscale-explorer/data/generic/preset.js +3 -3
  16. package/lib/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
  17. package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
  18. package/lib/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
  19. package/lib/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
  20. package/lib/apps/mesoscale-explorer/data/state.d.ts +19 -10
  21. package/lib/apps/mesoscale-explorer/data/state.js +14 -2
  22. package/lib/apps/mesoscale-explorer/index.html +100 -100
  23. package/lib/apps/mesoscale-explorer/style.scss +33 -33
  24. package/lib/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
  25. package/lib/apps/mesoscale-explorer/ui/entities.js +23 -4
  26. package/lib/apps/viewer/app.d.ts +30 -24
  27. package/lib/apps/viewer/app.js +6 -6
  28. package/lib/apps/viewer/embedded.html +52 -52
  29. package/lib/apps/viewer/index.html +129 -129
  30. package/lib/cli/chem-comp-dict/create-ions.js +9 -9
  31. package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
  32. package/lib/cli/chem-comp-dict/util.d.ts +112 -112
  33. package/lib/cli/cifschema/util/cif-dic.js +1 -0
  34. package/lib/cli/cifschema/util/generate.js +12 -12
  35. package/lib/cli/lipid-params/index.js +9 -9
  36. package/lib/cli/mvs/mvs-print-schema.d.ts +1 -0
  37. package/lib/cli/mvs/mvs-print-schema.js +1 -0
  38. package/lib/cli/mvs/mvs-render.d.ts +1 -0
  39. package/lib/cli/mvs/mvs-render.js +1 -0
  40. package/lib/cli/mvs/mvs-validate.d.ts +1 -0
  41. package/lib/cli/mvs/mvs-validate.js +1 -0
  42. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +8 -8
  43. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
  44. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
  45. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
  46. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
  47. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
  48. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
  49. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +3 -3
  50. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
  51. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
  52. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
  53. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
  54. package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +19 -10
  55. package/lib/commonjs/apps/mesoscale-explorer/data/state.js +15 -3
  56. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
  57. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +22 -3
  58. package/lib/commonjs/apps/viewer/app.d.ts +30 -24
  59. package/lib/commonjs/apps/viewer/app.js +6 -6
  60. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
  61. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
  62. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +112 -112
  63. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
  64. package/lib/commonjs/cli/cifschema/util/generate.js +12 -12
  65. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  66. package/lib/commonjs/cli/mvs/mvs-print-schema.d.ts +1 -0
  67. package/lib/commonjs/cli/mvs/mvs-print-schema.js +1 -0
  68. package/lib/commonjs/cli/mvs/mvs-render.d.ts +1 -0
  69. package/lib/commonjs/cli/mvs/mvs-render.js +1 -0
  70. package/lib/commonjs/cli/mvs/mvs-validate.d.ts +1 -0
  71. package/lib/commonjs/cli/mvs/mvs-validate.js +1 -0
  72. package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
  73. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
  74. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +2 -2
  75. package/lib/commonjs/extensions/anvil/behavior.d.ts +10 -9
  76. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -0
  77. package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +2 -1
  78. package/lib/commonjs/extensions/assembly-symmetry/prop.js +24 -24
  79. package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
  80. package/lib/commonjs/extensions/backgrounds/index.d.ts +2 -2
  81. package/lib/commonjs/extensions/backgrounds/index.js +2 -1
  82. package/lib/commonjs/extensions/dnatco/behavior.d.ts +1 -1
  83. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +10 -10
  84. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +5 -5
  85. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  86. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.d.ts +10 -10
  87. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +5 -5
  88. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  89. package/lib/commonjs/extensions/g3d/format.d.ts +6 -6
  90. package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -1
  91. package/lib/commonjs/extensions/geo-export/glb-exporter.js +6 -4
  92. package/lib/commonjs/extensions/geo-export/index.d.ts +1 -1
  93. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
  94. package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +2 -3
  95. package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +1 -1
  96. package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +2 -2
  97. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +9 -9
  98. package/lib/commonjs/extensions/model-export/index.d.ts +1 -1
  99. package/lib/commonjs/extensions/mp4-export/index.d.ts +1 -1
  100. package/lib/commonjs/extensions/mvs/behavior.d.ts +1 -1
  101. package/lib/commonjs/extensions/mvs/camera.d.ts +2 -0
  102. package/lib/commonjs/extensions/mvs/camera.js +29 -2
  103. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +4 -0
  104. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +1 -0
  105. package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +4 -2
  106. package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +1 -0
  107. package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -4
  108. package/lib/commonjs/extensions/mvs/components/formats.js +2 -1
  109. package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
  110. package/lib/commonjs/extensions/mvs/load.d.ts +2 -0
  111. package/lib/commonjs/extensions/mvs/load.js +12 -6
  112. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +2 -8
  113. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.d.ts +1 -1
  114. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +22 -22
  115. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  116. package/lib/commonjs/extensions/sb-ncbr/partial-charges/behavior.d.ts +1 -1
  117. package/lib/commonjs/extensions/sb-ncbr/partial-charges/preset.d.ts +4 -4
  118. package/lib/commonjs/extensions/volumes-and-segmentations/entry-meshes.d.ts +1 -1
  119. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +5 -5
  120. package/lib/commonjs/extensions/volumes-and-segmentations/entry-segmentation.d.ts +1 -1
  121. package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +2 -2
  122. package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +2 -2
  123. package/lib/commonjs/extensions/volumes-and-segmentations/helpers.d.ts +1 -1
  124. package/lib/commonjs/extensions/volumes-and-segmentations/index.d.ts +1 -1
  125. package/lib/commonjs/extensions/wwpdb/ccd/behavior.d.ts +1 -1
  126. package/lib/commonjs/extensions/wwpdb/ccd/representation.d.ts +4 -4
  127. package/lib/commonjs/extensions/zenodo/index.d.ts +1 -1
  128. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -2
  129. package/lib/commonjs/mol-canvas3d/canvas3d.js +2 -2
  130. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  131. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  132. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  133. package/lib/commonjs/mol-canvas3d/passes/background.d.ts +6 -1
  134. package/lib/commonjs/mol-canvas3d/passes/background.js +13 -1
  135. package/lib/commonjs/mol-canvas3d/passes/bloom.d.ts +37 -0
  136. package/lib/commonjs/mol-canvas3d/passes/bloom.js +272 -0
  137. package/lib/commonjs/mol-canvas3d/passes/dpoit.js +4 -2
  138. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +11 -7
  139. package/lib/commonjs/mol-canvas3d/passes/draw.js +29 -3
  140. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +6 -0
  141. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +31 -5
  142. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +35 -40
  143. package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -1
  144. package/lib/commonjs/mol-geo/geometry/base.js +4 -1
  145. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -1
  146. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -1
  147. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -1
  148. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -1
  149. package/lib/commonjs/mol-geo/geometry/emissive-data.d.ts +26 -0
  150. package/lib/commonjs/mol-geo/geometry/emissive-data.js +80 -0
  151. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -1
  152. package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
  153. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +3 -2
  154. package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -1
  155. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +2 -1
  156. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +36 -2
  157. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  158. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +11 -4
  159. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -2
  160. package/lib/commonjs/mol-geo/geometry/points/points.js +4 -1
  161. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -2
  162. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
  163. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +2 -1
  164. package/lib/commonjs/mol-geo/geometry/text/text.js +4 -1
  165. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +2 -1
  166. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +34 -2
  167. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
  168. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +14 -4
  169. package/lib/commonjs/mol-geo/util/location-iterator.d.ts +5 -2
  170. package/lib/commonjs/mol-geo/util/location-iterator.js +8 -3
  171. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +10 -0
  172. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +10 -0
  173. package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -0
  174. package/lib/commonjs/mol-gl/renderable/lines.d.ts +10 -0
  175. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +10 -0
  176. package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -0
  177. package/lib/commonjs/mol-gl/renderable/schema.d.ts +24 -1
  178. package/lib/commonjs/mol-gl/renderable/schema.js +15 -2
  179. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +10 -0
  180. package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -0
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +10 -0
  182. package/lib/commonjs/mol-gl/renderable.d.ts +1 -1
  183. package/lib/commonjs/mol-gl/renderable.js +2 -2
  184. package/lib/commonjs/mol-gl/renderer.d.ts +2 -1
  185. package/lib/commonjs/mol-gl/renderer.js +58 -49
  186. package/lib/commonjs/mol-gl/scene.d.ts +3 -1
  187. package/lib/commonjs/mol-gl/scene.js +26 -1
  188. package/lib/commonjs/mol-gl/shader/background.frag.d.ts +1 -1
  189. package/lib/commonjs/mol-gl/shader/background.frag.js +95 -94
  190. package/lib/commonjs/mol-gl/shader/background.vert.js +11 -11
  191. package/lib/commonjs/mol-gl/shader/blend-back-dpoit.frag.js +13 -13
  192. package/lib/commonjs/mol-gl/shader/bloom/blur.frag.d.ts +1 -0
  193. package/lib/commonjs/mol-gl/shader/bloom/blur.frag.js +32 -0
  194. package/lib/commonjs/mol-gl/shader/bloom/composite.frag.d.ts +1 -0
  195. package/lib/commonjs/mol-gl/shader/bloom/composite.frag.js +37 -0
  196. package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.d.ts +1 -0
  197. package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.js +56 -0
  198. package/lib/commonjs/mol-gl/shader/cas.frag.js +144 -144
  199. package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +31 -31
  200. package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +12 -12
  201. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
  202. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +78 -70
  203. package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +16 -16
  204. package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +8 -8
  205. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  206. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +140 -112
  207. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +6 -6
  208. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +8 -8
  209. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  210. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +112 -123
  211. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +14 -14
  212. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +18 -18
  213. package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +12 -12
  214. package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.d.ts +1 -0
  215. package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.js +20 -0
  216. package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +7 -7
  217. package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +5 -5
  218. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  219. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +60 -51
  220. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  221. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +122 -92
  222. package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
  223. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  224. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +150 -149
  225. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +61 -61
  226. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +234 -234
  227. package/lib/commonjs/mol-gl/shader/chunks/dpoit-write.glsl.js +62 -62
  228. package/lib/commonjs/mol-gl/shader/chunks/fade-lod.glsl.js +42 -42
  229. package/lib/commonjs/mol-gl/shader/chunks/float-to-rgba.glsl.js +39 -39
  230. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +127 -127
  231. package/lib/commonjs/mol-gl/shader/chunks/matrix-scale.glsl.js +5 -5
  232. package/lib/commonjs/mol-gl/shader/chunks/normal-frag-params.glsl.js +2 -2
  233. package/lib/commonjs/mol-gl/shader/chunks/read-from-texture.glsl.js +14 -14
  234. package/lib/commonjs/mol-gl/shader/chunks/rgba-to-float.glsl.js +84 -84
  235. package/lib/commonjs/mol-gl/shader/chunks/size-vert-params.glsl.js +11 -11
  236. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +23 -23
  237. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +17 -17
  238. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +8 -8
  239. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +25 -25
  240. package/lib/commonjs/mol-gl/shader/compose.frag.js +12 -12
  241. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +23 -23
  242. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +43 -43
  243. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +15 -15
  244. package/lib/commonjs/mol-gl/shader/copy.frag.js +11 -11
  245. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
  246. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +267 -264
  247. package/lib/commonjs/mol-gl/shader/cylinders.vert.js +89 -89
  248. package/lib/commonjs/mol-gl/shader/depth-merge.frag.js +23 -23
  249. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  250. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +362 -356
  251. package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +41 -41
  252. package/lib/commonjs/mol-gl/shader/evaluate-dpoit.frag.js +10 -10
  253. package/lib/commonjs/mol-gl/shader/evaluate-wboit.frag.js +17 -17
  254. package/lib/commonjs/mol-gl/shader/fxaa.frag.js +228 -228
  255. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +49 -49
  256. package/lib/commonjs/mol-gl/shader/gaussian-density.vert.js +27 -27
  257. package/lib/commonjs/mol-gl/shader/hi-z.frag.js +18 -18
  258. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +58 -58
  259. package/lib/commonjs/mol-gl/shader/histogram-pyramid/sum.frag.js +19 -19
  260. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
  261. package/lib/commonjs/mol-gl/shader/image.frag.js +170 -161
  262. package/lib/commonjs/mol-gl/shader/image.vert.js +21 -21
  263. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
  264. package/lib/commonjs/mol-gl/shader/lines.frag.js +43 -40
  265. package/lib/commonjs/mol-gl/shader/lines.vert.js +117 -117
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  821. package/lib/mol-repr/shape/loci/common.d.ts +1 -0
  822. package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
  823. package/lib/mol-repr/shape/loci/distance.d.ts +1 -0
  824. package/lib/mol-repr/shape/loci/label.d.ts +1 -0
  825. package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
  826. package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
  827. package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
  828. package/lib/mol-repr/structure/complex-representation.d.ts +1 -1
  829. package/lib/mol-repr/structure/complex-representation.js +7 -1
  830. package/lib/mol-repr/structure/complex-visual.d.ts +8 -1
  831. package/lib/mol-repr/structure/complex-visual.js +5 -1
  832. package/lib/mol-repr/structure/params.d.ts +8 -0
  833. package/lib/mol-repr/structure/registry.d.ts +14 -0
  834. package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
  835. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  836. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  837. package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
  838. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  839. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  840. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
  841. package/lib/mol-repr/structure/representation/label.d.ts +3 -0
  842. package/lib/mol-repr/structure/representation/line.d.ts +3 -0
  843. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  844. package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
  845. package/lib/mol-repr/structure/representation/point.d.ts +3 -0
  846. package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
  847. package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
  848. package/lib/mol-repr/structure/units-representation.d.ts +1 -1
  849. package/lib/mol-repr/structure/units-representation.js +9 -3
  850. package/lib/mol-repr/structure/units-visual.d.ts +9 -1
  851. package/lib/mol-repr/structure/units-visual.js +5 -1
  852. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  853. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -0
  854. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  855. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -0
  856. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  857. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  858. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  859. package/lib/mol-repr/structure/visual/element-cross.d.ts +1 -0
  860. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -0
  861. package/lib/mol-repr/structure/visual/element-sphere.d.ts +4 -0
  862. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  863. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
  864. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  865. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +1 -1
  866. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -0
  867. package/lib/mol-repr/structure/visual/label-text.d.ts +1 -0
  868. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  869. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -0
  870. package/lib/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
  871. package/lib/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
  872. package/lib/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
  873. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  874. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  875. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  876. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  877. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  878. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  879. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  880. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  881. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  882. package/lib/mol-repr/visual.d.ts +6 -1
  883. package/lib/mol-repr/visual.js +57 -3
  884. package/lib/mol-repr/volume/direct-volume.d.ts +3 -0
  885. package/lib/mol-repr/volume/isosurface.d.ts +6 -0
  886. package/lib/mol-repr/volume/registry.d.ts +4 -0
  887. package/lib/mol-repr/volume/representation.d.ts +2 -1
  888. package/lib/mol-repr/volume/representation.js +9 -2
  889. package/lib/mol-repr/volume/segment.d.ts +5 -0
  890. package/lib/mol-repr/volume/slice.d.ts +3 -0
  891. package/lib/mol-script/language/symbol-table/core.d.ts +3 -3
  892. package/lib/mol-state/tree/immutable.d.ts +1 -1
  893. package/lib/mol-state/tree/transient.d.ts +2 -2
  894. package/lib/mol-theme/color/external-volume.d.ts +3 -1
  895. package/lib/mol-theme/color/external-volume.js +8 -2
  896. package/lib/mol-theme/color.d.ts +1 -0
  897. package/lib/mol-theme/emissive.d.ts +40 -0
  898. package/lib/mol-theme/emissive.js +134 -0
  899. package/lib/mol-theme/substance.d.ts +1 -1
  900. package/lib/mol-theme/substance.js +2 -2
  901. package/lib/mol-theme/transparency.d.ts +0 -1
  902. package/lib/mol-util/input/input-observer.js +2 -0
  903. package/lib/mol-util/set.d.ts +1 -1
  904. package/lib/mol-util/set.js +17 -1
  905. package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
  906. package/lib/servers/volume/config.js +5 -5
  907. package/package.json +195 -193
@@ -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>