molstar 3.0.0 → 3.2.0

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 (256) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +194 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/docking-viewer/viewport.d.ts +2 -0
  8. package/lib/apps/viewer/app.d.ts +1 -0
  9. package/lib/apps/viewer/app.js +6 -3
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -0
  13. package/lib/commonjs/apps/viewer/app.d.ts +1 -0
  14. package/lib/commonjs/apps/viewer/app.js +8 -5
  15. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  16. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -0
  17. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -0
  18. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -2
  19. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +11 -11
  20. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -0
  21. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
  22. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +1 -1
  23. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  24. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  25. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  26. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  27. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  28. package/lib/commonjs/mol-gl/renderer.js +3 -3
  29. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
  30. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +2 -2
  31. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
  32. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +2 -2
  33. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +2 -2
  34. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +2 -2
  35. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +2 -2
  36. package/lib/commonjs/mol-gl/shader/mesh.frag.js +2 -2
  37. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +2 -2
  38. package/lib/commonjs/mol-gl/shader/spheres.frag.js +2 -2
  39. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  40. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  41. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  42. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  43. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +24 -2
  44. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +23 -1
  45. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.d.ts +1 -1
  46. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +17 -4
  47. package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +68 -1
  48. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +8 -8
  49. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  50. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  51. package/lib/commonjs/mol-model/structure/structure/element/loci.d.ts +1 -1
  52. package/lib/commonjs/mol-model/structure/structure/element/loci.js +4 -2
  53. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.d.ts +21 -0
  54. package/lib/commonjs/mol-model/structure/structure/util/{superposition-db-mapping.js → superposition-sifts-mapping.js} +40 -20
  55. package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
  56. package/lib/commonjs/mol-model/volume/volume.js +18 -0
  57. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +5 -0
  58. package/lib/commonjs/mol-model-formats/structure/common/property.d.ts +5 -2
  59. package/lib/commonjs/mol-model-formats/structure/common/property.js +20 -8
  60. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +1 -0
  61. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +2 -1
  62. package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
  63. package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
  64. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
  65. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  66. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  67. package/lib/commonjs/mol-model-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +7 -5
  68. package/lib/commonjs/mol-model-props/sequence/{best-database-mapping.js → sifts-mapping.js} +29 -26
  69. package/lib/{mol-model-props/sequence/themes/best-database-mapping.d.ts → commonjs/mol-model-props/sequence/themes/sifts-mapping.d.ts} +5 -5
  70. package/lib/commonjs/mol-model-props/sequence/themes/{best-database-mapping.js → sifts-mapping.js} +22 -22
  71. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +1 -1
  72. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.js → sifts-mapping.js} +11 -11
  73. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props.d.ts +1 -1
  74. package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props.js +2 -2
  75. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +1 -1
  76. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +11 -6
  77. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +2 -1
  78. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +16 -7
  79. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  80. package/lib/commonjs/mol-plugin/behavior/static/representation.js +1 -1
  81. package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
  82. package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
  83. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +2 -0
  84. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -0
  85. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +155 -125
  86. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +5 -31
  87. package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +2 -1
  88. package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
  89. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +2 -1
  90. package/lib/commonjs/mol-plugin-state/manager/structure/component.js +11 -8
  91. package/lib/commonjs/mol-plugin-ui/controls/icons.d.ts +2 -1
  92. package/lib/commonjs/mol-plugin-ui/controls/icons.js +8 -5
  93. package/lib/commonjs/mol-plugin-ui/controls.d.ts +1 -1
  94. package/lib/commonjs/mol-plugin-ui/controls.js +2 -1
  95. package/lib/commonjs/mol-plugin-ui/structure/quick-styles.d.ts +25 -0
  96. package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +131 -0
  97. package/lib/commonjs/mol-plugin-ui/structure/superposition.d.ts +4 -1
  98. package/lib/commonjs/mol-plugin-ui/structure/superposition.js +66 -30
  99. package/lib/commonjs/mol-plugin-ui/structure/volume.js +4 -4
  100. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +1 -1
  101. package/lib/commonjs/mol-repr/shape/loci/common.js +3 -3
  102. package/lib/commonjs/mol-repr/structure/registry.d.ts +1 -1
  103. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +4 -4
  104. package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
  105. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -1
  106. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +2 -2
  107. package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +1 -1
  108. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
  109. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  110. package/lib/commonjs/mol-state/transform.js +12 -2
  111. package/lib/commonjs/mol-theme/color/element-symbol.d.ts +46 -2
  112. package/lib/commonjs/mol-theme/color/element-symbol.js +15 -10
  113. package/lib/commonjs/mol-theme/color/entity-id.js +14 -11
  114. package/lib/commonjs/mol-theme/color/illustrative.d.ts +32 -32
  115. package/lib/commonjs/mol-theme/color.d.ts +39 -17
  116. package/lib/commonjs/servers/volume/config.js +3 -3
  117. package/lib/commonjs/servers/volume/query.js +1 -1
  118. package/lib/examples/alpha-orbitals/index.html +61 -61
  119. package/lib/examples/basic-wrapper/index.html +137 -137
  120. package/lib/examples/lighting/index.html +88 -88
  121. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  122. package/lib/extensions/anvil/behavior.d.ts +1 -0
  123. package/lib/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -0
  124. package/lib/extensions/model-archive/quality-assessment/behavior.d.ts +2 -0
  125. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -2
  126. package/lib/extensions/rcsb/graphql/types.d.ts +11 -11
  127. package/lib/extensions/rcsb/validation-report/behavior.d.ts +3 -0
  128. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  129. package/lib/mol-canvas3d/passes/draw.d.ts +1 -1
  130. package/lib/mol-canvas3d/passes/draw.js +3 -3
  131. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  132. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  133. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  134. package/lib/mol-gl/renderer.d.ts +2 -2
  135. package/lib/mol-gl/renderer.js +3 -3
  136. package/lib/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
  137. package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +2 -2
  138. package/lib/mol-gl/shader/cylinders.frag.d.ts +2 -2
  139. package/lib/mol-gl/shader/cylinders.frag.js +2 -2
  140. package/lib/mol-gl/shader/direct-volume.frag.d.ts +2 -2
  141. package/lib/mol-gl/shader/direct-volume.frag.js +2 -2
  142. package/lib/mol-gl/shader/mesh.frag.d.ts +2 -2
  143. package/lib/mol-gl/shader/mesh.frag.js +2 -2
  144. package/lib/mol-gl/shader/spheres.frag.d.ts +2 -2
  145. package/lib/mol-gl/shader/spheres.frag.js +2 -2
  146. package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
  147. package/lib/mol-io/reader/cif/schema/bird.js +1 -1
  148. package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  149. package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
  150. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +24 -2
  151. package/lib/mol-io/reader/cif/schema/mmcif.js +23 -1
  152. package/lib/mol-math/geometry/primitives/sphere3d.d.ts +1 -1
  153. package/lib/mol-math/geometry/primitives/sphere3d.js +17 -4
  154. package/lib/mol-model/structure/export/categories/atom_site.js +68 -1
  155. package/lib/mol-model/structure/export/categories/secondary-structure.js +8 -8
  156. package/lib/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  157. package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  158. package/lib/mol-model/structure/structure/element/loci.d.ts +1 -1
  159. package/lib/mol-model/structure/structure/element/loci.js +4 -2
  160. package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.d.ts +21 -0
  161. package/lib/mol-model/structure/structure/util/{superposition-db-mapping.js → superposition-sifts-mapping.js} +38 -18
  162. package/lib/mol-model/volume/volume.d.ts +7 -0
  163. package/lib/mol-model/volume/volume.js +18 -0
  164. package/lib/mol-model-formats/structure/basic/schema.d.ts +5 -0
  165. package/lib/mol-model-formats/structure/common/property.d.ts +5 -2
  166. package/lib/mol-model-formats/structure/common/property.js +20 -8
  167. package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +1 -0
  168. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +2 -1
  169. package/lib/mol-model-props/computed/interactions/common.d.ts +1 -1
  170. package/lib/mol-model-props/computed/interactions/common.js +16 -24
  171. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
  172. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  173. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  174. package/lib/mol-model-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +7 -5
  175. package/lib/mol-model-props/sequence/{best-database-mapping.js → sifts-mapping.js} +28 -25
  176. package/lib/{commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts → mol-model-props/sequence/themes/sifts-mapping.d.ts} +5 -5
  177. package/lib/mol-model-props/sequence/themes/{best-database-mapping.js → sifts-mapping.js} +19 -19
  178. package/lib/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +1 -1
  179. package/lib/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.js → sifts-mapping.js} +8 -8
  180. package/lib/mol-plugin/behavior/dynamic/custom-props.d.ts +1 -1
  181. package/lib/mol-plugin/behavior/dynamic/custom-props.js +1 -1
  182. package/lib/mol-plugin/behavior/dynamic/representation.d.ts +1 -1
  183. package/lib/mol-plugin/behavior/dynamic/representation.js +11 -6
  184. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +2 -1
  185. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +16 -7
  186. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  187. package/lib/mol-plugin/behavior/static/representation.js +1 -1
  188. package/lib/mol-plugin/version.js +2 -2
  189. package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
  190. package/lib/mol-plugin-state/actions/volume.js +3 -3
  191. package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +2 -0
  192. package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -0
  193. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +155 -125
  194. package/lib/mol-plugin-state/builder/structure/representation-preset.js +5 -31
  195. package/lib/mol-plugin-state/builder/structure/representation.d.ts +2 -1
  196. package/lib/mol-plugin-state/formats/volume.js +1 -11
  197. package/lib/mol-plugin-state/manager/structure/component.d.ts +2 -1
  198. package/lib/mol-plugin-state/manager/structure/component.js +11 -8
  199. package/lib/mol-plugin-ui/controls/icons.d.ts +2 -1
  200. package/lib/mol-plugin-ui/controls/icons.js +5 -3
  201. package/lib/mol-plugin-ui/controls.d.ts +1 -1
  202. package/lib/mol-plugin-ui/controls.js +2 -1
  203. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  204. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  205. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  206. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  207. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  208. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  209. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  210. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  211. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  212. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  213. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  214. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  215. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
  216. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  217. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  218. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  219. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  220. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  221. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  222. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  223. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  224. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  225. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  226. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  227. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  228. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  229. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  230. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  231. package/lib/mol-plugin-ui/structure/quick-styles.d.ts +25 -0
  232. package/lib/mol-plugin-ui/structure/quick-styles.js +128 -0
  233. package/lib/mol-plugin-ui/structure/superposition.d.ts +4 -1
  234. package/lib/mol-plugin-ui/structure/superposition.js +66 -30
  235. package/lib/mol-plugin-ui/structure/volume.js +4 -4
  236. package/lib/mol-repr/shape/loci/common.d.ts +1 -1
  237. package/lib/mol-repr/shape/loci/common.js +3 -3
  238. package/lib/mol-repr/structure/registry.d.ts +1 -1
  239. package/lib/mol-repr/structure/representation/cartoon.d.ts +4 -4
  240. package/lib/mol-repr/structure/representation/cartoon.js +3 -3
  241. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -1
  242. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +2 -2
  243. package/lib/mol-repr/structure/visual/util/bond.d.ts +1 -1
  244. package/lib/mol-repr/structure/visual/util/bond.js +5 -4
  245. package/lib/mol-script/language/builder.d.ts +1 -0
  246. package/lib/mol-state/transform.js +12 -2
  247. package/lib/mol-theme/color/element-symbol.d.ts +46 -2
  248. package/lib/mol-theme/color/element-symbol.js +15 -10
  249. package/lib/mol-theme/color/entity-id.js +14 -11
  250. package/lib/mol-theme/color/illustrative.d.ts +32 -32
  251. package/lib/mol-theme/color.d.ts +39 -17
  252. package/lib/servers/volume/config.js +3 -3
  253. package/lib/servers/volume/query.js +1 -1
  254. package/package.json +160 -163
  255. package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
  256. package/lib/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
@@ -1,37 +1,37 @@
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* Docking Viewer</title>
7
- <style>
8
- #app {
9
- position: absolute;
10
- left: 100px;
11
- top: 100px;
12
- width: 800px;
13
- height: 600px;
14
- }
15
- </style>
16
- <link rel="stylesheet" type="text/css" href="molstar.css" />
17
- </head>
18
- <body>
19
- <div id="app"></div>
20
- <script type="text/javascript" src="./molstar.js"></script>
21
- <script type="text/javascript">
22
- function getParam(name, regex) {
23
- var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
24
- return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
25
- }
26
- var pdbqt = getParam('pdbqt', '[^&]+').trim() || '../../examples/ace2.pdbqt';
27
- var mol2 = getParam('mol2', '[^&]+').trim() || '../../examples/ace2-hit.mol2';
28
-
29
- DockingViewer.create('app', [0x33DD22, 0x1133EE], true).then(viewer => {
30
- viewer.loadStructuresFromUrlsAndMerge([
31
- { url: pdbqt, format: 'pdbqt' },
32
- { url: mol2, format: 'mol2' }
33
- ]);
34
- });
35
- </script>
36
- </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* Docking Viewer</title>
7
+ <style>
8
+ #app {
9
+ position: absolute;
10
+ left: 100px;
11
+ top: 100px;
12
+ width: 800px;
13
+ height: 600px;
14
+ }
15
+ </style>
16
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
17
+ </head>
18
+ <body>
19
+ <div id="app"></div>
20
+ <script type="text/javascript" src="./molstar.js"></script>
21
+ <script type="text/javascript">
22
+ function getParam(name, regex) {
23
+ var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
24
+ return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
25
+ }
26
+ var pdbqt = getParam('pdbqt', '[^&]+').trim() || '../../examples/ace2.pdbqt';
27
+ var mol2 = getParam('mol2', '[^&]+').trim() || '../../examples/ace2-hit.mol2';
28
+
29
+ DockingViewer.create('app', [0x33DD22, 0x1133EE], true).then(viewer => {
30
+ viewer.loadStructuresFromUrlsAndMerge([
31
+ { url: pdbqt, format: 'pdbqt' },
32
+ { url: mol2, format: 'mol2' }
33
+ ]);
34
+ });
35
+ </script>
36
+ </body>
37
37
  </html>
@@ -9,6 +9,7 @@ import { StructureRef } from '../../mol-plugin-state/manager/structure/hierarchy
9
9
  import { PluginUIComponent } from '../../mol-plugin-ui/base';
10
10
  export declare const StructurePreset: StructureRepresentationPresetProvider<{
11
11
  ignoreHydrogens: boolean | undefined;
12
+ ignoreLight: boolean | undefined;
12
13
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
13
14
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
14
15
  globalName: any;
@@ -31,6 +32,7 @@ export declare const StructurePreset: StructureRepresentationPresetProvider<{
31
32
  }>;
32
33
  export declare const IllustrativePreset: StructureRepresentationPresetProvider<{
33
34
  ignoreHydrogens: boolean | undefined;
35
+ ignoreLight: boolean | undefined;
34
36
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
35
37
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
36
38
  globalName: any;
@@ -202,6 +202,7 @@ export interface LoadTrajectoryParams {
202
202
  }
203
203
  export declare const ViewerAutoPreset: StructureRepresentationPresetProvider<{
204
204
  ignoreHydrogens: boolean | undefined;
205
+ ignoreLight: boolean | undefined;
205
206
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
206
207
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
207
208
  globalName: any;
@@ -17,6 +17,7 @@ import { ModelExport } from '../../extensions/model-export';
17
17
  import { Mp4Export } from '../../extensions/mp4-export';
18
18
  import { PDBeStructureQualityReport } from '../../extensions/pdbe';
19
19
  import { RCSBAssemblySymmetry, RCSBValidationReport } from '../../extensions/rcsb';
20
+ import { Volume } from '../../mol-model/volume';
20
21
  import { DownloadStructure, PdbDownloadProvider } from '../../mol-plugin-state/actions/structure';
21
22
  import { DownloadDensity } from '../../mol-plugin-state/actions/volume';
22
23
  import { PresetStructureRepresentations, StructureRepresentationPresetProvider } from '../../mol-plugin-state/builder/structure/representation-preset';
@@ -361,7 +362,7 @@ var Viewer = /** @class */ (function () {
361
362
  return [2 /*return*/, update.commit()];
362
363
  }
363
364
  return [2 /*return*/, plugin.dataTransaction(function () { return __awaiter(_this, void 0, void 0, function () {
364
- var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
365
+ var data, parsed, firstVolume, repr, _i, isovalues_1, iso, volume, volumeData;
365
366
  var _a, _b, _c, _d;
366
367
  return __generator(this, function (_e) {
367
368
  switch (_e.label) {
@@ -377,11 +378,13 @@ var Viewer = /** @class */ (function () {
377
378
  repr = plugin.build();
378
379
  for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
379
380
  iso = isovalues_1[_i];
381
+ volume = (_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume;
382
+ volumeData = volume.cell.obj.data;
380
383
  repr
381
- .to((_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume)
384
+ .to(volume)
382
385
  .apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data, {
383
386
  type: 'isosurface',
384
- typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: iso.type === 'absolute' ? { kind: 'absolute', absoluteValue: iso.value } : { kind: 'relative', relativeValue: iso.value } },
387
+ typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: Volume.adjustedIsoValue(volumeData, iso.value, iso.type) },
385
388
  color: 'uniform',
386
389
  colorParams: { value: iso.color }
387
390
  }));
@@ -1,44 +1,44 @@
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
- });
42
- </script>
43
- </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
+ });
42
+ </script>
43
+ </body>
44
44
  </html>
@@ -1,107 +1,107 @@
1
- <!DOCTYPE html>
2
- <html lang="en">
3
- <head>
4
- <meta charset="utf-8" />
5
- <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
6
- <link rel="icon" href="./favicon.ico" type="image/x-icon">
7
- <title>Mol* Viewer</title>
8
- <style>
9
- * {
10
- margin: 0;
11
- padding: 0;
12
- box-sizing: border-box;
13
- }
14
- html, body {
15
- width: 100%;
16
- height: 100%;
17
- overflow: hidden;
18
- }
19
- hr {
20
- margin: 10px;
21
- }
22
- h1, h2, h3, h4, h5 {
23
- margin-top: 5px;
24
- margin-bottom: 3px;
25
- }
26
- button {
27
- padding: 2px;
28
- }
29
- #app {
30
- position: absolute;
31
- left: 100px;
32
- top: 100px;
33
- width: 800px;
34
- height: 600px;
35
- }
36
- </style>
37
- <link rel="stylesheet" type="text/css" href="molstar.css" />
38
- </head>
39
- <body>
40
- <div id="app"></div>
41
- <script type="text/javascript" src="./molstar.js"></script>
42
- <script type="text/javascript">
43
- function getParam(name, regex) {
44
- var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
45
- return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
46
- }
47
-
48
- var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
49
- if (debugMode) molstar.setDebugMode(debugMode, debugMode);
50
-
51
- var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
52
- var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
53
- var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
54
- var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
55
- var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
56
- var pixelScale = getParam('pixel-scale', '[^&]+').trim();
57
- var pickScale = getParam('pick-scale', '[^&]+').trim();
58
- var pickPadding = getParam('pick-padding', '[^&]+').trim();
59
- var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
60
- var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
61
-
62
- molstar.Viewer.create('app', {
63
- layoutShowControls: !hideControls,
64
- viewportShowExpand: false,
65
- collapseLeftPanel: collapseLeftPanel,
66
- pdbProvider: pdbProvider || 'pdbe',
67
- emdbProvider: emdbProvider || 'pdbe',
68
- volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
69
- ? 'https://maps.rcsb.org'
70
- : 'https://www.ebi.ac.uk/pdbe/densities',
71
- pixelScale: parseFloat(pixelScale) || 1,
72
- pickScale: parseFloat(pickScale) || 0.25,
73
- pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
74
- enableWboit: disableWboit ? true : void 0, // use default value if disable-wboit is not set
75
- preferWebgl1: preferWebgl1,
76
- }).then(viewer => {
77
- var snapshotId = getParam('snapshot-id', '[^&]+').trim();
78
- if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
79
-
80
- var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
81
- var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
82
- if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
83
-
84
- var structureUrl = getParam('structure-url', '[^&]+').trim();
85
- var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
86
- var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
87
- if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
88
-
89
- var pdb = getParam('pdb', '[^&]+').trim();
90
- if (pdb) viewer.loadPdb(pdb);
91
-
92
- var pdbDev = getParam('pdb-dev', '[^&]+').trim();
93
- if (pdbDev) viewer.loadPdbDev(pdbDev);
94
-
95
- var emdb = getParam('emdb', '[^&]+').trim();
96
- if (emdb) viewer.loadEmdb(emdb);
97
-
98
- var afdb = getParam('afdb', '[^&]+').trim();
99
- if (afdb) viewer.loadAlphaFoldDb(afdb);
100
-
101
- var modelArchive = getParam('model-archive', '[^&]+').trim();
102
- if (modelArchive) viewer.loadModelArchive(modelArchive);
103
- });
104
- </script>
105
- <!-- __MOLSTAR_ANALYTICS__ -->
106
- </body>
1
+ <!DOCTYPE html>
2
+ <html lang="en">
3
+ <head>
4
+ <meta charset="utf-8" />
5
+ <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
6
+ <link rel="icon" href="./favicon.ico" type="image/x-icon">
7
+ <title>Mol* Viewer</title>
8
+ <style>
9
+ * {
10
+ margin: 0;
11
+ padding: 0;
12
+ box-sizing: border-box;
13
+ }
14
+ html, body {
15
+ width: 100%;
16
+ height: 100%;
17
+ overflow: hidden;
18
+ }
19
+ hr {
20
+ margin: 10px;
21
+ }
22
+ h1, h2, h3, h4, h5 {
23
+ margin-top: 5px;
24
+ margin-bottom: 3px;
25
+ }
26
+ button {
27
+ padding: 2px;
28
+ }
29
+ #app {
30
+ position: absolute;
31
+ left: 100px;
32
+ top: 100px;
33
+ width: 800px;
34
+ height: 600px;
35
+ }
36
+ </style>
37
+ <link rel="stylesheet" type="text/css" href="molstar.css" />
38
+ </head>
39
+ <body>
40
+ <div id="app"></div>
41
+ <script type="text/javascript" src="./molstar.js"></script>
42
+ <script type="text/javascript">
43
+ function getParam(name, regex) {
44
+ var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
45
+ return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
46
+ }
47
+
48
+ var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
49
+ if (debugMode) molstar.setDebugMode(debugMode, debugMode);
50
+
51
+ var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
52
+ var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
53
+ var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
54
+ var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
55
+ var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
56
+ var pixelScale = getParam('pixel-scale', '[^&]+').trim();
57
+ var pickScale = getParam('pick-scale', '[^&]+').trim();
58
+ var pickPadding = getParam('pick-padding', '[^&]+').trim();
59
+ var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
60
+ var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
61
+
62
+ molstar.Viewer.create('app', {
63
+ layoutShowControls: !hideControls,
64
+ viewportShowExpand: false,
65
+ collapseLeftPanel: collapseLeftPanel,
66
+ pdbProvider: pdbProvider || 'pdbe',
67
+ emdbProvider: emdbProvider || 'pdbe',
68
+ volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
69
+ ? 'https://maps.rcsb.org'
70
+ : 'https://www.ebi.ac.uk/pdbe/densities',
71
+ pixelScale: parseFloat(pixelScale) || 1,
72
+ pickScale: parseFloat(pickScale) || 0.25,
73
+ pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
74
+ enableWboit: disableWboit ? true : void 0, // use default value if disable-wboit is not set
75
+ preferWebgl1: preferWebgl1,
76
+ }).then(viewer => {
77
+ var snapshotId = getParam('snapshot-id', '[^&]+').trim();
78
+ if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
79
+
80
+ var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
81
+ var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
82
+ if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
83
+
84
+ var structureUrl = getParam('structure-url', '[^&]+').trim();
85
+ var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
86
+ var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
87
+ if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
88
+
89
+ var pdb = getParam('pdb', '[^&]+').trim();
90
+ if (pdb) viewer.loadPdb(pdb);
91
+
92
+ var pdbDev = getParam('pdb-dev', '[^&]+').trim();
93
+ if (pdbDev) viewer.loadPdbDev(pdbDev);
94
+
95
+ var emdb = getParam('emdb', '[^&]+').trim();
96
+ if (emdb) viewer.loadEmdb(emdb);
97
+
98
+ var afdb = getParam('afdb', '[^&]+').trim();
99
+ if (afdb) viewer.loadAlphaFoldDb(afdb);
100
+
101
+ var modelArchive = getParam('model-archive', '[^&]+').trim();
102
+ if (modelArchive) viewer.loadModelArchive(modelArchive);
103
+ });
104
+ </script>
105
+ <!-- __MOLSTAR_ANALYTICS__ -->
106
+ </body>
107
107
  </html>
@@ -9,6 +9,7 @@ import { StructureRef } from '../../mol-plugin-state/manager/structure/hierarchy
9
9
  import { PluginUIComponent } from '../../mol-plugin-ui/base';
10
10
  export declare const StructurePreset: StructureRepresentationPresetProvider<{
11
11
  ignoreHydrogens: boolean | undefined;
12
+ ignoreLight: boolean | undefined;
12
13
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
13
14
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
14
15
  globalName: any;
@@ -31,6 +32,7 @@ export declare const StructurePreset: StructureRepresentationPresetProvider<{
31
32
  }>;
32
33
  export declare const IllustrativePreset: StructureRepresentationPresetProvider<{
33
34
  ignoreHydrogens: boolean | undefined;
35
+ ignoreLight: boolean | undefined;
34
36
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
35
37
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
36
38
  globalName: any;
@@ -202,6 +202,7 @@ export interface LoadTrajectoryParams {
202
202
  }
203
203
  export declare const ViewerAutoPreset: StructureRepresentationPresetProvider<{
204
204
  ignoreHydrogens: boolean | undefined;
205
+ ignoreLight: boolean | undefined;
205
206
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
206
207
  theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
207
208
  globalName: any;
@@ -20,8 +20,9 @@ var model_export_1 = require("../../extensions/model-export");
20
20
  var mp4_export_1 = require("../../extensions/mp4-export");
21
21
  var pdbe_1 = require("../../extensions/pdbe");
22
22
  var rcsb_1 = require("../../extensions/rcsb");
23
+ var volume_1 = require("../../mol-model/volume");
23
24
  var structure_1 = require("../../mol-plugin-state/actions/structure");
24
- var volume_1 = require("../../mol-plugin-state/actions/volume");
25
+ var volume_2 = require("../../mol-plugin-state/actions/volume");
25
26
  var representation_preset_1 = require("../../mol-plugin-state/builder/structure/representation-preset");
26
27
  var volume_representation_params_1 = require("../../mol-plugin-state/helpers/volume-representation-params");
27
28
  var transforms_1 = require("../../mol-plugin-state/transforms");
@@ -269,7 +270,7 @@ var Viewer = /** @class */ (function () {
269
270
  Viewer.prototype.loadEmdb = function (emdb, options) {
270
271
  var _a;
271
272
  var provider = this.plugin.config.get(config_1.PluginConfig.Download.DefaultEmdbProvider);
272
- return this.plugin.runTask(this.plugin.state.data.applyAction(volume_1.DownloadDensity, {
273
+ return this.plugin.runTask(this.plugin.state.data.applyAction(volume_2.DownloadDensity, {
273
274
  source: {
274
275
  name: 'pdb-emd-ds',
275
276
  params: {
@@ -367,7 +368,7 @@ var Viewer = /** @class */ (function () {
367
368
  return [2 /*return*/, update.commit()];
368
369
  }
369
370
  return [2 /*return*/, plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
370
- var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
371
+ var data, parsed, firstVolume, repr, _i, isovalues_1, iso, volume, volumeData;
371
372
  var _a, _b, _c, _d;
372
373
  return (0, tslib_1.__generator)(this, function (_e) {
373
374
  switch (_e.label) {
@@ -383,11 +384,13 @@ var Viewer = /** @class */ (function () {
383
384
  repr = plugin.build();
384
385
  for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
385
386
  iso = isovalues_1[_i];
387
+ volume = (_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume;
388
+ volumeData = volume.cell.obj.data;
386
389
  repr
387
- .to((_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume)
390
+ .to(volume)
388
391
  .apply(transforms_1.StateTransforms.Representation.VolumeRepresentation3D, (0, volume_representation_params_1.createVolumeRepresentationParams)(this.plugin, firstVolume.data, {
389
392
  type: 'isosurface',
390
- typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: iso.type === 'absolute' ? { kind: 'absolute', absoluteValue: iso.value } : { kind: 'relative', relativeValue: iso.value } },
393
+ typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: volume_1.Volume.adjustedIsoValue(volumeData, iso.value, iso.type) },
391
394
  color: 'uniform',
392
395
  colorParams: { value: iso.color }
393
396
  }));
@@ -47,6 +47,7 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
47
47
  }>>;
48
48
  export declare const MembraneOrientationPreset: StructureRepresentationPresetProvider<{
49
49
  ignoreHydrogens: boolean | undefined;
50
+ ignoreLight: boolean | undefined;
50
51
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
51
52
  theme: PD.Normalize<{
52
53
  globalName: any;
@@ -9,6 +9,7 @@ import { StructureRepresentationPresetProvider } from '../../../mol-plugin-state
9
9
  import { ParamDefinition as PD } from '../../../mol-util/param-definition';
10
10
  export declare const DnatcoConfalPyramidsPreset: StructureRepresentationPresetProvider<{
11
11
  ignoreHydrogens: boolean | undefined;
12
+ ignoreLight: boolean | undefined;
12
13
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
13
14
  theme: PD.Normalize<{
14
15
  globalName: any;
@@ -12,6 +12,7 @@ export declare const MAQualityAssessment: import("../../../mol-state/transformer
12
12
  }>;
13
13
  export declare const QualityAssessmentPLDDTPreset: StructureRepresentationPresetProvider<{
14
14
  ignoreHydrogens: boolean | undefined;
15
+ ignoreLight: boolean | undefined;
15
16
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
16
17
  theme: PD.Normalize<{
17
18
  globalName: any;
@@ -40,6 +41,7 @@ export declare const QualityAssessmentPLDDTPreset: StructureRepresentationPreset
40
41
  }>;
41
42
  export declare const QualityAssessmentQmeanPreset: StructureRepresentationPresetProvider<{
42
43
  ignoreHydrogens: boolean | undefined;
44
+ ignoreLight: boolean | undefined;
43
45
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
44
46
  theme: PD.Normalize<{
45
47
  globalName: any;
@@ -43,11 +43,12 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
43
43
  }>>;
44
44
  export declare const AssemblySymmetryPresetParams: {
45
45
  ignoreHydrogens: PD.Base<boolean | undefined>;
46
+ ignoreLight: PD.Base<boolean | undefined>;
46
47
  quality: PD.Base<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined>;
47
48
  theme: PD.Base<PD.Normalize<{
48
- globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
49
+ globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "entity-id" | "entity-source" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
49
50
  carbonColor: "element-symbol" | "chain-id" | "operator-name" | undefined;
50
- symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
51
+ symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "entity-id" | "entity-source" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
51
52
  focus: PD.Normalize<{
52
53
  name: any;
53
54
  params: any;
@@ -56,6 +57,7 @@ export declare const AssemblySymmetryPresetParams: {
56
57
  };
57
58
  export declare const AssemblySymmetryPreset: StructureRepresentationPresetProvider<{
58
59
  ignoreHydrogens: boolean | undefined;
60
+ ignoreLight: boolean | undefined;
59
61
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
60
62
  theme: PD.Normalize<{
61
63
  globalName: any;
@@ -12854,21 +12854,21 @@ export declare type AssemblySymmetryQuery = {
12854
12854
  readonly rcsb_struct_symmetry?: ReadonlyArray<{
12855
12855
  readonly kind: string;
12856
12856
  readonly oligomeric_state: string;
12857
- readonly stoichiometry: ReadonlyArray<string | null | undefined>;
12857
+ readonly stoichiometry: ReadonlyArray<string | null>;
12858
12858
  readonly symbol: string;
12859
12859
  readonly type: string;
12860
12860
  readonly clusters: ReadonlyArray<{
12861
- readonly avg_rmsd?: number | null | undefined;
12861
+ readonly avg_rmsd?: number | null;
12862
12862
  readonly members: ReadonlyArray<{
12863
12863
  readonly asym_id: string;
12864
- readonly pdbx_struct_oper_list_ids?: ReadonlyArray<string | null | undefined> | null | undefined;
12865
- } | null | undefined>;
12866
- } | null | undefined>;
12864
+ readonly pdbx_struct_oper_list_ids?: ReadonlyArray<string | null> | null;
12865
+ } | null>;
12866
+ } | null>;
12867
12867
  readonly rotation_axes?: ReadonlyArray<{
12868
- readonly order?: number | null | undefined;
12869
- readonly start: ReadonlyArray<number | null | undefined>;
12870
- readonly end: ReadonlyArray<number | null | undefined>;
12871
- } | null | undefined> | null | undefined;
12872
- } | null | undefined> | null | undefined;
12873
- } | null | undefined;
12868
+ readonly order?: number | null;
12869
+ readonly start: ReadonlyArray<number | null>;
12870
+ readonly end: ReadonlyArray<number | null>;
12871
+ } | null> | null;
12872
+ } | null> | null;
12873
+ } | null;
12874
12874
  };