molstar 3.0.0-dev.0 → 3.0.0-dev.10

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 (3499) hide show
  1. package/README.md +18 -0
  2. package/build/viewer/embedded.html +5 -5
  3. package/build/viewer/index.html +29 -17
  4. package/build/viewer/molstar.css +1 -1
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.d.ts +2 -1
  7. package/lib/apps/docking-viewer/index.html +8 -8
  8. package/lib/apps/docking-viewer/index.js +87 -74
  9. package/lib/apps/docking-viewer/viewport.js +14 -11
  10. package/lib/apps/viewer/app.d.ts +230 -0
  11. package/lib/apps/viewer/app.js +515 -0
  12. package/lib/apps/viewer/embedded.html +5 -5
  13. package/lib/apps/viewer/index.d.ts +2 -403
  14. package/lib/apps/viewer/index.html +29 -17
  15. package/lib/apps/viewer/index.js +2 -420
  16. package/lib/cli/cifschema/index.d.ts +1 -1
  17. package/lib/cli/cifschema/index.js +15 -35
  18. package/lib/commonjs/apps/docking-viewer/index.d.ts +2 -1
  19. package/lib/commonjs/apps/docking-viewer/index.js +86 -73
  20. package/lib/commonjs/apps/docking-viewer/viewport.js +14 -11
  21. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  22. package/lib/commonjs/apps/viewer/app.js +521 -0
  23. package/lib/commonjs/apps/viewer/index.d.ts +2 -403
  24. package/lib/commonjs/apps/viewer/index.js +2 -423
  25. package/lib/commonjs/cli/cifschema/index.d.ts +1 -1
  26. package/lib/commonjs/cli/cifschema/index.js +15 -35
  27. package/lib/commonjs/examples/alpha-orbitals/index.js +3 -4
  28. package/lib/commonjs/examples/basic-wrapper/index.js +30 -14
  29. package/lib/commonjs/examples/lighting/index.d.ts +1 -1
  30. package/lib/commonjs/examples/lighting/index.js +58 -41
  31. package/lib/commonjs/examples/proteopedia-wrapper/index.js +33 -15
  32. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +0 -1
  33. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +1 -14
  34. package/lib/commonjs/extensions/anvil/behavior.d.ts +11 -1
  35. package/lib/commonjs/extensions/anvil/representation.d.ts +68 -5
  36. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  37. package/lib/commonjs/extensions/cellpack/representation.d.ts +14 -1
  38. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +42 -3
  39. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
  40. package/lib/commonjs/extensions/geo-export/obj-exporter.js +1 -1
  41. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +1 -1
  42. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +68 -0
  43. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
  44. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +14 -0
  45. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
  46. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.d.ts +12 -0
  47. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
  48. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.d.ts +28 -0
  49. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
  50. package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -0
  51. package/lib/commonjs/extensions/mp4-export/controls.js +9 -7
  52. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
  53. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  54. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +13 -3
  55. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +1 -1
  56. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +14 -1
  57. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
  58. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +1 -1
  59. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +70 -5
  60. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +21 -13
  61. package/lib/commonjs/mol-canvas3d/canvas3d.js +37 -25
  62. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  63. package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
  64. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
  65. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +11 -1
  66. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  67. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +11 -1
  68. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  69. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +6 -0
  70. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
  71. package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
  72. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +4 -0
  73. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  74. package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
  75. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +10 -2
  76. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +18 -14
  77. package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
  78. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
  79. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +6 -4
  80. package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
  81. package/lib/commonjs/mol-geo/geometry/base.d.ts +21 -2
  82. package/lib/commonjs/mol-geo/geometry/base.js +24 -7
  83. package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
  84. package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
  85. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  86. package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
  87. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +15 -2
  88. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +5 -3
  89. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +17 -39
  90. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
  91. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  92. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  93. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +12 -1
  94. package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
  95. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +13 -1
  96. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  97. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
  98. package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
  99. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +1 -1
  100. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +14 -1
  101. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +5 -3
  102. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +12 -1
  103. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  104. package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
  105. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +14 -1
  106. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +5 -3
  107. package/lib/commonjs/mol-geo/geometry/substance-data.js +3 -3
  108. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +12 -1
  109. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  110. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +3 -3
  111. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +14 -1
  112. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +5 -3
  113. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  114. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  115. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
  116. package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
  117. package/lib/commonjs/mol-gl/render-object.js +10 -10
  118. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +42 -33
  119. package/lib/commonjs/mol-gl/renderable/cylinders.js +4 -4
  120. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +16 -14
  121. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  122. package/lib/commonjs/mol-gl/renderable/image.d.ts +11 -4
  123. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  124. package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -32
  125. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  126. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +39 -30
  127. package/lib/commonjs/mol-gl/renderable/mesh.js +4 -4
  128. package/lib/commonjs/mol-gl/renderable/points.d.ts +11 -4
  129. package/lib/commonjs/mol-gl/renderable/points.js +2 -2
  130. package/lib/commonjs/mol-gl/renderable/schema.d.ts +11 -11
  131. package/lib/commonjs/mol-gl/renderable/schema.js +7 -13
  132. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +42 -33
  133. package/lib/commonjs/mol-gl/renderable/spheres.js +4 -4
  134. package/lib/commonjs/mol-gl/renderable/text.d.ts +11 -4
  135. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  136. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +14 -6
  137. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  138. package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
  139. package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
  140. package/lib/commonjs/mol-gl/renderer.js +23 -92
  141. package/lib/commonjs/mol-gl/scene.d.ts +2 -2
  142. package/lib/commonjs/mol-gl/scene.js +7 -5
  143. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
  144. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
  145. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  146. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  147. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
  148. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
  149. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
  150. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
  151. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  152. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  153. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
  154. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
  155. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
  156. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
  157. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  158. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  159. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  160. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  161. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  162. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
  163. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
  164. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
  165. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  166. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
  167. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.d.ts +1 -1
  168. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +1 -1
  169. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
  170. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
  171. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
  172. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
  173. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  174. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  175. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  176. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  177. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
  178. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
  179. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
  180. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
  181. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  182. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  183. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
  184. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
  185. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  186. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  187. package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
  188. package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
  189. package/lib/commonjs/mol-gl/shader/postprocessing.frag.d.ts +1 -1
  190. package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +1 -1
  191. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  192. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  193. package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
  194. package/lib/commonjs/mol-gl/shader-code.js +43 -14
  195. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
  196. package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
  197. package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
  198. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  199. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  200. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  201. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  202. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +327 -2
  203. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +326 -1
  204. package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
  205. package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
  206. package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
  207. package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
  208. package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
  209. package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
  210. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
  211. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
  212. package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
  213. package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
  214. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
  215. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +3 -2
  216. package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
  217. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
  218. package/lib/commonjs/mol-model/structure/model/model.d.ts +1 -0
  219. package/lib/commonjs/mol-model/structure/model/model.js +15 -5
  220. package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.d.ts +6 -1
  221. package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js +1 -1
  222. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.d.ts +1 -1
  223. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +4 -1
  224. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.d.ts +1 -1
  225. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +12 -1
  226. package/lib/commonjs/mol-model/structure/model/types.js +9 -0
  227. package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
  228. package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
  229. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
  230. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
  231. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
  232. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
  233. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  234. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
  235. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +2 -0
  236. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +28 -2
  237. package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
  238. package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
  239. package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
  240. package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
  241. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  242. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  243. package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
  244. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +14 -1
  245. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +14 -1
  246. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +42 -3
  247. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +56 -4
  248. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
  249. package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
  250. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
  251. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +13 -2
  252. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  253. package/lib/commonjs/mol-plugin/commands.d.ts +14 -6
  254. package/lib/commonjs/mol-plugin/config.d.ts +2 -1
  255. package/lib/commonjs/mol-plugin/config.js +4 -18
  256. package/lib/commonjs/mol-plugin/features.d.ts +9 -0
  257. package/lib/commonjs/mol-plugin/features.js +38 -0
  258. package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
  259. package/lib/commonjs/mol-plugin/spec.js +4 -1
  260. package/lib/commonjs/mol-plugin/state.d.ts +8 -0
  261. package/lib/commonjs/mol-plugin/state.js +27 -17
  262. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +33 -3
  263. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +8 -1
  264. package/lib/commonjs/mol-plugin-state/actions/structure.js +183 -72
  265. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  266. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
  267. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  268. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  269. package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
  270. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +11 -361
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package/README.md CHANGED
@@ -11,6 +11,13 @@ When using Mol*, please cite:
11
11
 
12
12
  David Sehnal, Sebastian Bittrich, Mandar Deshpande, Radka Svobodová, Karel Berka, Václav Bazgier, Sameer Velankar, Stephen K Burley, Jaroslav Koča, Alexander S Rose: [Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures](https://doi.org/10.1093/nar/gkab314), *Nucleic Acids Research*, 2021; https://doi.org/10.1093/nar/gkab314.
13
13
 
14
+ ### Protein Data Bank Integrations
15
+
16
+ - The [pdbe-molstar](https://github.com/molstar/pdbe-molstar) library is the Mol* implementation used by EMBL-EBI data resources such as [PDBe](https://pdbe.org/), [PDBe-KB](https://pdbe-kb.org/) and [AlphaFold DB](https://alphafold.ebi.ac.uk/). This implementation can be used as a JS plugin and a Web component and supports property/attribute-based easy customisation. It provides helper methods to facilitate programmatic interactions between the web application and the 3D viewer. It also provides a superposition view for overlaying all the observed ligand molecules on representative protein conformations.
17
+
18
+ - [rcsb-molstar](https://github.com/molstar/rcsb-molstar) is the Mol* plugin used by [RCSB PDB](https://www.rcsb.org). The project provides additional presets for the visualization of structure alignments and structure motifs such as ligand binding sites. Furthermore, [rcsb-molstar](https://github.com/molstar/rcsb-molstar) allows to interactively add or hide of (parts of) chains, as seen in the [3D Protein Feature View](https://www.rcsb.org/3d-sequence/4hhb).
19
+
20
+
14
21
  ## Project Structure Overview
15
22
 
16
23
  The core of Mol* consists of these modules (see under `src/`):
@@ -68,6 +75,17 @@ If working on just the viewer, ``npm run watch-viewer`` will provide shorter com
68
75
 
69
76
  Debug/production mode in browsers can be turned on/off during runtime by calling ``setMolStarDebugMode(true/false, true/false)`` from the dev console.
70
77
 
78
+ ### Cleaning and forcing a full rebuild
79
+ npm run clean
80
+
81
+ Wipes the `build` and `lib` directories and `.tsbuildinfo` files.
82
+
83
+ npm run rebuild
84
+
85
+ Runs the cleanup script prior to building the project, forcing a full rebuild of the project.
86
+
87
+ Use these commands to resolve occassional build failures which may arise after some dependency updates. Once done, `npm run build` should work again. Note that full rebuilds take more time to complete.
88
+
71
89
  ### Build for production:
72
90
  NODE_ENV=production npm run build
73
91
 
@@ -20,7 +20,7 @@
20
20
  <div id="app"></div>
21
21
  <script type="text/javascript" src="./molstar.js"></script>
22
22
  <script type="text/javascript">
23
- var viewer = new molstar.Viewer('app', {
23
+ molstar.Viewer.create('app', {
24
24
  layoutIsExpanded: true,
25
25
  layoutShowControls: false,
26
26
  layoutShowRemoteState: false,
@@ -34,11 +34,11 @@
34
34
 
35
35
  pdbProvider: 'rcsb',
36
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' } } })
37
41
  });
38
- viewer.loadPdb('7bv2');
39
- viewer.loadEmdb('EMD-30210', { detail: 6 });
40
-
41
- // viewer.loadAllModelsOrAssemblyFromUrl('https://cs.litemol.org/5ire/full', 'mmcif', false, { representationParams: { theme: { globalName: 'operator-name' } } })
42
42
  </script>
43
43
  </body>
44
44
  </html>
@@ -56,7 +56,10 @@
56
56
  var pixelScale = getParam('pixel-scale', '[^&]+').trim();
57
57
  var pickScale = getParam('pick-scale', '[^&]+').trim();
58
58
  var pickPadding = getParam('pick-padding', '[^&]+').trim();
59
- var viewer = new molstar.Viewer('app', {
59
+ var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
60
+ var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1';
61
+
62
+ molstar.Viewer.create('app', {
60
63
  layoutShowControls: !hideControls,
61
64
  viewportShowExpand: false,
62
65
  collapseLeftPanel: collapseLeftPanel,
@@ -68,28 +71,37 @@
68
71
  pixelScale: parseFloat(pixelScale) || 1,
69
72
  pickScale: parseFloat(pickScale) || 0.25,
70
73
  pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
71
- });
74
+ enableWboit: !disableWboit,
75
+ preferWebgl1: preferWebgl1,
76
+ }).then(viewer => {
77
+ var snapshotId = getParam('snapshot-id', '[^&]+').trim();
78
+ if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
72
79
 
73
- var snapshotId = getParam('snapshot-id', '[^&]+').trim();
74
- if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
80
+ var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
81
+ var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
82
+ if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
75
83
 
76
- var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
77
- var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
78
- if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
84
+ var structureUrl = getParam('structure-url', '[^&]+').trim();
85
+ var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
86
+ var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
87
+ if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
79
88
 
80
- var structureUrl = getParam('structure-url', '[^&]+').trim();
81
- var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
82
- var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
83
- if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
89
+ var pdb = getParam('pdb', '[^&]+').trim();
90
+ if (pdb) viewer.loadPdb(pdb);
84
91
 
85
- var pdb = getParam('pdb', '[^&]+').trim();
86
- if (pdb) viewer.loadPdb(pdb);
92
+ var pdbDev = getParam('pdb-dev', '[^&]+').trim();
93
+ if (pdbDev) viewer.loadPdbDev(pdbDev);
87
94
 
88
- var pdbDev = getParam('pdb-dev', '[^&]+').trim();
89
- if (pdbDev) viewer.loadPdbDev(pdbDev);
95
+ var emdb = getParam('emdb', '[^&]+').trim();
96
+ if (emdb) viewer.loadEmdb(emdb);
90
97
 
91
- var emdb = getParam('emdb', '[^&]+').trim();
92
- if (emdb) viewer.loadEmdb(emdb);
98
+ var afdb = getParam('afdb', '[^&]+').trim();
99
+ if (afdb) viewer.loadAlphaFoldDb(afdb);
100
+
101
+ var modelArchive = getParam('model-archive', '[^&]+').trim();
102
+ if (modelArchive) viewer.loadModelArchive(modelArchive);
103
+ });
93
104
  </script>
105
+ <!-- __MOLSTAR_ANALYTICS__ -->
94
106
  </body>
95
107
  </html>
@@ -1 +1 @@
1
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.msp-plugin-content{color:#332b1f}
1
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)}.msp-plugin 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