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.
- package/LICENSE +20 -20
- package/README.md +194 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/viewport.d.ts +2 -0
- package/lib/apps/viewer/app.d.ts +1 -0
- package/lib/apps/viewer/app.js +6 -3
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -0
- package/lib/commonjs/apps/viewer/app.d.ts +1 -0
- package/lib/commonjs/apps/viewer/app.js +8 -5
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -2
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -0
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/renderer.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +24 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +23 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +17 -4
- package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +68 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +8 -8
- package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
- package/lib/commonjs/mol-model/structure/structure/element/loci.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/loci.js +4 -2
- package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.d.ts +21 -0
- package/lib/commonjs/mol-model/structure/structure/util/{superposition-db-mapping.js → superposition-sifts-mapping.js} +40 -20
- package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
- package/lib/commonjs/mol-model/volume/volume.js +18 -0
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +5 -0
- package/lib/commonjs/mol-model-formats/structure/common/property.d.ts +5 -2
- package/lib/commonjs/mol-model-formats/structure/common/property.js +20 -8
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +1 -0
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +2 -1
- package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
- package/lib/commonjs/mol-model-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +7 -5
- package/lib/commonjs/mol-model-props/sequence/{best-database-mapping.js → sifts-mapping.js} +29 -26
- package/lib/{mol-model-props/sequence/themes/best-database-mapping.d.ts → commonjs/mol-model-props/sequence/themes/sifts-mapping.d.ts} +5 -5
- package/lib/commonjs/mol-model-props/sequence/themes/{best-database-mapping.js → sifts-mapping.js} +22 -22
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.js → sifts-mapping.js} +11 -11
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +11 -6
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +2 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +16 -7
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/static/representation.js +1 -1
- package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +2 -0
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -0
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +155 -125
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +5 -31
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +2 -1
- package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +2 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +11 -8
- package/lib/commonjs/mol-plugin-ui/controls/icons.d.ts +2 -1
- package/lib/commonjs/mol-plugin-ui/controls/icons.js +8 -5
- package/lib/commonjs/mol-plugin-ui/controls.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/controls.js +2 -1
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.d.ts +25 -0
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +131 -0
- package/lib/commonjs/mol-plugin-ui/structure/superposition.d.ts +4 -1
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +66 -30
- package/lib/commonjs/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +1 -1
- package/lib/commonjs/mol-repr/shape/loci/common.js +3 -3
- package/lib/commonjs/mol-repr/structure/registry.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +4 -4
- package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-state/transform.js +12 -2
- package/lib/commonjs/mol-theme/color/element-symbol.d.ts +46 -2
- package/lib/commonjs/mol-theme/color/element-symbol.js +15 -10
- package/lib/commonjs/mol-theme/color/entity-id.js +14 -11
- package/lib/commonjs/mol-theme/color/illustrative.d.ts +32 -32
- package/lib/commonjs/mol-theme/color.d.ts +39 -17
- package/lib/commonjs/servers/volume/config.js +3 -3
- package/lib/commonjs/servers/volume/query.js +1 -1
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/extensions/anvil/behavior.d.ts +1 -0
- package/lib/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -0
- package/lib/extensions/model-archive/quality-assessment/behavior.d.ts +2 -0
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -2
- package/lib/extensions/rcsb/graphql/types.d.ts +11 -11
- package/lib/extensions/rcsb/validation-report/behavior.d.ts +3 -0
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-canvas3d/passes/draw.d.ts +1 -1
- package/lib/mol-canvas3d/passes/draw.js +3 -3
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-gl/renderer.d.ts +2 -2
- package/lib/mol-gl/renderer.js +3 -3
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +2 -2
- package/lib/mol-gl/shader/cylinders.frag.d.ts +2 -2
- package/lib/mol-gl/shader/cylinders.frag.js +2 -2
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +2 -2
- package/lib/mol-gl/shader/direct-volume.frag.js +2 -2
- package/lib/mol-gl/shader/mesh.frag.d.ts +2 -2
- package/lib/mol-gl/shader/mesh.frag.js +2 -2
- package/lib/mol-gl/shader/spheres.frag.d.ts +2 -2
- package/lib/mol-gl/shader/spheres.frag.js +2 -2
- package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +24 -2
- package/lib/mol-io/reader/cif/schema/mmcif.js +23 -1
- package/lib/mol-math/geometry/primitives/sphere3d.d.ts +1 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +17 -4
- package/lib/mol-model/structure/export/categories/atom_site.js +68 -1
- package/lib/mol-model/structure/export/categories/secondary-structure.js +8 -8
- package/lib/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
- package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
- package/lib/mol-model/structure/structure/element/loci.d.ts +1 -1
- package/lib/mol-model/structure/structure/element/loci.js +4 -2
- package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.d.ts +21 -0
- package/lib/mol-model/structure/structure/util/{superposition-db-mapping.js → superposition-sifts-mapping.js} +38 -18
- package/lib/mol-model/volume/volume.d.ts +7 -0
- package/lib/mol-model/volume/volume.js +18 -0
- package/lib/mol-model-formats/structure/basic/schema.d.ts +5 -0
- package/lib/mol-model-formats/structure/common/property.d.ts +5 -2
- package/lib/mol-model-formats/structure/common/property.js +20 -8
- package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +1 -0
- package/lib/mol-model-formats/structure/property/bonds/index-pair.js +2 -1
- package/lib/mol-model-props/computed/interactions/common.d.ts +1 -1
- package/lib/mol-model-props/computed/interactions/common.js +16 -24
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
- package/lib/mol-model-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +7 -5
- package/lib/mol-model-props/sequence/{best-database-mapping.js → sifts-mapping.js} +28 -25
- package/lib/{commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts → mol-model-props/sequence/themes/sifts-mapping.d.ts} +5 -5
- package/lib/mol-model-props/sequence/themes/{best-database-mapping.js → sifts-mapping.js} +19 -19
- package/lib/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.d.ts → sifts-mapping.d.ts} +1 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/sequence/{best-database-mapping.js → sifts-mapping.js} +8 -8
- package/lib/mol-plugin/behavior/dynamic/custom-props.d.ts +1 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props.js +1 -1
- package/lib/mol-plugin/behavior/dynamic/representation.d.ts +1 -1
- package/lib/mol-plugin/behavior/dynamic/representation.js +11 -6
- package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +2 -1
- package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +16 -7
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/behavior/static/representation.js +1 -1
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/mol-plugin-state/actions/volume.js +3 -3
- package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +2 -0
- package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -0
- package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +155 -125
- package/lib/mol-plugin-state/builder/structure/representation-preset.js +5 -31
- package/lib/mol-plugin-state/builder/structure/representation.d.ts +2 -1
- package/lib/mol-plugin-state/formats/volume.js +1 -11
- package/lib/mol-plugin-state/manager/structure/component.d.ts +2 -1
- package/lib/mol-plugin-state/manager/structure/component.js +11 -8
- package/lib/mol-plugin-ui/controls/icons.d.ts +2 -1
- package/lib/mol-plugin-ui/controls/icons.js +5 -3
- package/lib/mol-plugin-ui/controls.d.ts +1 -1
- package/lib/mol-plugin-ui/controls.js +2 -1
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/structure/quick-styles.d.ts +25 -0
- package/lib/mol-plugin-ui/structure/quick-styles.js +128 -0
- package/lib/mol-plugin-ui/structure/superposition.d.ts +4 -1
- package/lib/mol-plugin-ui/structure/superposition.js +66 -30
- package/lib/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/mol-repr/shape/loci/common.d.ts +1 -1
- package/lib/mol-repr/shape/loci/common.js +3 -3
- package/lib/mol-repr/structure/registry.d.ts +1 -1
- package/lib/mol-repr/structure/representation/cartoon.d.ts +4 -4
- package/lib/mol-repr/structure/representation/cartoon.js +3 -3
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +2 -2
- package/lib/mol-repr/structure/visual/util/bond.d.ts +1 -1
- package/lib/mol-repr/structure/visual/util/bond.js +5 -4
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/lib/mol-state/transform.js +12 -2
- package/lib/mol-theme/color/element-symbol.d.ts +46 -2
- package/lib/mol-theme/color/element-symbol.js +15 -10
- package/lib/mol-theme/color/entity-id.js +14 -11
- package/lib/mol-theme/color/illustrative.d.ts +32 -32
- package/lib/mol-theme/color.d.ts +39 -17
- package/lib/servers/volume/config.js +3 -3
- package/lib/servers/volume/query.js +1 -1
- package/package.json +160 -163
- package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
- package/lib/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
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<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;
|
package/lib/apps/viewer/app.d.ts
CHANGED
|
@@ -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;
|
package/lib/apps/viewer/app.js
CHANGED
|
@@ -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(
|
|
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:
|
|
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">
|
|
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<link rel="icon" href="./favicon.ico" type="image/x-icon">
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<title>Mol* Viewer</title>
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<style>
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* {
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margin: 0;
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padding: 0;
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box-sizing: border-box;
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}
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html, body {
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width: 100%;
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height: 100%;
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overflow: hidden;
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}
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hr {
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margin: 10px;
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}
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h1, h2, h3, h4, h5 {
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margin-top: 5px;
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margin-bottom: 3px;
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}
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button {
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padding: 2px;
|
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}
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#app {
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position: absolute;
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left: 100px;
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top: 100px;
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width: 800px;
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height: 600px;
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}
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</style>
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<link rel="stylesheet" type="text/css" href="molstar.css" />
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</head>
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<body>
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<div id="app"></div>
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+
<script type="text/javascript" src="./molstar.js"></script>
|
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<script type="text/javascript">
|
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function getParam(name, regex) {
|
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var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
|
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return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
|
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}
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+
|
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var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
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if (debugMode) molstar.setDebugMode(debugMode, debugMode);
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+
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var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
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var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
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var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
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var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
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var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
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var pixelScale = getParam('pixel-scale', '[^&]+').trim();
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var pickScale = getParam('pick-scale', '[^&]+').trim();
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var pickPadding = getParam('pick-padding', '[^&]+').trim();
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var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
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var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
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+
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molstar.Viewer.create('app', {
|
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layoutShowControls: !hideControls,
|
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|
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viewportShowExpand: false,
|
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|
+
collapseLeftPanel: collapseLeftPanel,
|
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|
+
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,
|
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|
+
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 => {
|
|
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|
+
var snapshotId = getParam('snapshot-id', '[^&]+').trim();
|
|
78
|
+
if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
|
|
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|
+
|
|
80
|
+
var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
|
|
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|
+
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
|
|
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(
|
|
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(
|
|
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:
|
|
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" | "
|
|
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" | "
|
|
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
|
|
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
|
|
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
|
|
12865
|
-
} | null
|
|
12866
|
-
} | null
|
|
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
|
|
12869
|
-
readonly start: ReadonlyArray<number | null
|
|
12870
|
-
readonly end: ReadonlyArray<number | null
|
|
12871
|
-
} | null
|
|
12872
|
-
} | null
|
|
12873
|
-
} | null
|
|
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
|
};
|