molstar 2.3.9 → 3.0.0-dev.2
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 +187 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -94
- 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 -2
- package/lib/apps/docking-viewer/viewport.js +16 -14
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +94 -94
- package/lib/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/docking-viewer/viewport.js +16 -14
- package/lib/commonjs/apps/viewer/index.d.ts +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/extensions/anvil/behavior.d.ts +6 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +25 -5
- package/lib/commonjs/extensions/cellpack/model.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +6 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +18 -6
- package/lib/commonjs/extensions/geo-export/controls.js +16 -18
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +5 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +49 -27
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +87 -15
- package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +24 -15
- package/lib/commonjs/extensions/geo-export/ui.js +24 -20
- package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +3 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +39 -30
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +10 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +5 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +22 -21
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +30 -10
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +18 -14
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +7 -3
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +5 -1
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -11
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +3 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +26 -6
- package/lib/commonjs/mol-geo/geometry/base.js +49 -6
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +5 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +7 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -3
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +5 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +5 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +18 -8
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +10 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +188 -35
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +5 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +7 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +5 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -1
- package/lib/commonjs/mol-geo/geometry/substance-data.d.ts +23 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +5 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +8 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +194 -27
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +8 -2
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +4 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
- package/lib/commonjs/mol-gl/compute/util.js +76 -21
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/points.js +1 -2
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +40 -5
- package/lib/commonjs/mol-gl/renderable/schema.js +23 -11
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +32 -13
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +9 -15
- package/lib/commonjs/mol-gl/renderer.js +56 -61
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +0 -1
- package/lib/commonjs/mol-gl/shader-code.js +31 -13
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js +3 -9
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/vertex-array.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +15 -15
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +9 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +91 -0
- package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser.js +12 -4
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +6 -0
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +9 -0
- package/lib/commonjs/mol-model/loci.d.ts +30 -30
- package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +54 -5
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
- package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +14 -6
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +8 -8
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +1 -7
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +6 -2
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +6 -2
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +18 -6
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +24 -8
- package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +12 -12
- package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +5 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +4 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +3 -3
- package/lib/commonjs/mol-plugin/commands.d.ts +13 -7
- package/lib/commonjs/mol-plugin/layout.d.ts +4 -4
- package/lib/commonjs/mol-plugin/spec.js +1 -0
- package/lib/commonjs/mol-plugin/state.d.ts +8 -0
- package/lib/commonjs/mol-plugin/state.js +27 -17
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +21 -9
- package/lib/commonjs/mol-plugin-state/actions/file.js +4 -2
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/animation/helpers.d.ts +5 -5
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +21 -21
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -0
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +14 -3
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.d.ts +13 -0
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +126 -0
- package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +2 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +11 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +44 -22
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +5 -5
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +75 -19
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +160 -15
- package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +6 -0
- package/lib/commonjs/mol-plugin-ui/controls/parameters.js +15 -3
- package/lib/commonjs/mol-plugin-ui/state/common.js +10 -9
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +10 -8
- package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +2 -1
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +2 -5
- package/lib/commonjs/mol-repr/representation.d.ts +12 -0
- package/lib/commonjs/mol-repr/representation.js +50 -5
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/label.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +6 -2
- package/lib/commonjs/mol-repr/shape/representation.js +8 -0
- package/lib/commonjs/mol-repr/structure/complex-representation.js +17 -4
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +38 -14
- package/lib/commonjs/mol-repr/structure/complex-visual.js +15 -5
- package/lib/commonjs/mol-repr/structure/params.d.ts +45 -13
- package/lib/commonjs/mol-repr/structure/registry.d.ts +96 -40
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +21 -9
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +21 -9
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +24 -12
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +21 -9
- package/lib/commonjs/mol-repr/structure/representation/label.d.ts +24 -12
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +24 -12
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +24 -12
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/point.d.ts +21 -9
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/units-representation.js +23 -17
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +51 -19
- package/lib/commonjs/mol-repr/structure/units-visual.js +15 -5
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +14 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +7 -3
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +14 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +7 -3
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +7 -3
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +12 -4
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +14 -6
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +32 -16
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +14 -12
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +8 -4
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +8 -4
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +5 -4
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +12 -4
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +12 -4
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +6 -2
- package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +10 -10
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/element.d.ts +4 -4
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.d.ts +2 -2
- package/lib/commonjs/mol-repr/visual.d.ts +24 -13
- package/lib/commonjs/mol-repr/visual.js +106 -8
- package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +21 -9
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +36 -12
- package/lib/commonjs/mol-repr/volume/registry.d.ts +19 -7
- package/lib/commonjs/mol-repr/volume/representation.d.ts +6 -2
- package/lib/commonjs/mol-repr/volume/representation.js +15 -3
- package/lib/commonjs/mol-repr/volume/slice.d.ts +18 -6
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-state/state.js +7 -5
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<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
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<title>Mol* Proteopedia Wrapper</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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#app {
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position: absolute;
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left: 160px;
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top: 100px;
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width: 600px;
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height: 600px;
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border: 1px solid #ccc;
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}
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#controls {
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position: absolute;
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width: 130px;
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top: 10px;
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left: 10px;
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}
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#controls > button {
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display: block;
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width: 100%;
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text-align: left;
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}
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#controls > hr {
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margin: 5px 0;
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}
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#controls > input, #controls > select {
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width: 100%;
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display: block;
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}
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#volume-streaming-wrapper {
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position: absolute;
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top: 100px;
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left: 780px;
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width: 300px;
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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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<script type="text/javascript" src="./index.js"></script>
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</head>
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<body>
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<div id='controls'>
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<h3>Source</h3>
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<input type='text' id='url' placeholder='url' style='width: 400px' />
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<input type='text' id='assemblyId' placeholder='assembly id' />
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<select id='format'>
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<option value='cif' selected>CIF</option>
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<option value='pdb'>PDB</option>
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</select>
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<input type='checkbox' id='isBinary' style="display: inline-block; width: auto" /> <label for="isBinary"> Binary</label><br />
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</div>
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<div id="app"></div>
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<div id="volume-streaming-wrapper"></div>
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<script>
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// it might be a good idea to define these colors in a separate script file
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var CustomColors = [0x00ff00, 0x0000ff];
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// create an instance of the plugin
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var PluginWrapper = new MolStarProteopediaWrapper();
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console.log('Wrapper version', MolStarProteopediaWrapper.VERSION_MAJOR, MolStarProteopediaWrapper.VERSION_MINOR);
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function $(id) { return document.getElementById(id); }
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var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
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var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
|
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var format = 'cif';
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|
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$('url').value = url;
|
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$('url').onchange = function (e) { url = e.target.value; }
|
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$('assemblyId').value = assemblyId;
|
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|
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$('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
|
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$('format').value = format;
|
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|
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$('format').onchange = function (e) { format = e.target.value; }
|
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|
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$('isBinary').checked = isBinary;
|
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|
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$('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
|
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|
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function loadAndSnapshot(params) {
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|
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PluginWrapper.load(params).then(() => {
|
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|
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setTimeout(() => snapshot = PluginWrapper.plugin.state.getSnapshot({ canvas3d: false /* do not save spinning state */ }), 500);
|
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|
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});
|
|
95
|
-
}
|
|
96
|
-
|
|
97
|
-
var representationStyle = {
|
|
98
|
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// sequence: { coloring: 'proteopedia-custom' }, // or just { }
|
|
99
|
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hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
|
|
100
|
-
water: { hide: true },
|
|
101
|
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snfg3d: { hide: false }
|
|
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|
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};
|
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|
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|
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|
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PluginWrapper.init('app' /** or document.getElementById('app') */, {
|
|
105
|
-
customColorList: CustomColors
|
|
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|
-
});
|
|
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|
-
PluginWrapper.setBackground(0xffffff);
|
|
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|
-
loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
|
|
109
|
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PluginWrapper.toggleSpin();
|
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110
|
-
|
|
111
|
-
PluginWrapper.events.modelInfo.subscribe(function (info) {
|
|
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|
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console.log('Model Info', info);
|
|
113
|
-
listHetGroups(info);
|
|
114
|
-
});
|
|
115
|
-
|
|
116
|
-
addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
|
|
117
|
-
addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
|
|
118
|
-
|
|
119
|
-
addSeparator();
|
|
120
|
-
|
|
121
|
-
addHeader('Representation');
|
|
122
|
-
|
|
123
|
-
addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
|
|
124
|
-
addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
|
|
125
|
-
|
|
126
|
-
addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
|
|
127
|
-
addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
|
|
128
|
-
|
|
129
|
-
addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
|
|
130
|
-
addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
|
|
131
|
-
|
|
132
|
-
addControl('Hide Water', () => PluginWrapper.updateStyle({ water: { hide: true } }, true));
|
|
133
|
-
addControl('Show Water', () => PluginWrapper.updateStyle({ water: { hide: false } }, true));
|
|
134
|
-
|
|
135
|
-
addSeparator();
|
|
136
|
-
|
|
137
|
-
addHeader('Camera');
|
|
138
|
-
addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
|
|
139
|
-
addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
|
|
140
|
-
// Same as "wheel icon" and Viewport options
|
|
141
|
-
// addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
|
|
142
|
-
// addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
|
|
143
|
-
|
|
144
|
-
addSeparator();
|
|
145
|
-
|
|
146
|
-
addHeader('Animation');
|
|
147
|
-
|
|
148
|
-
// adjust this number to make the animation faster or slower
|
|
149
|
-
// requires to "restart" the animation if changed
|
|
150
|
-
PluginWrapper.animate.modelIndex.targetFps = 30;
|
|
151
|
-
|
|
152
|
-
addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
|
|
153
|
-
addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
|
|
154
|
-
addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
|
|
155
|
-
addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
|
|
156
|
-
addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
|
|
157
|
-
|
|
158
|
-
addSeparator();
|
|
159
|
-
addHeader('Misc');
|
|
160
|
-
|
|
161
|
-
addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
|
|
162
|
-
addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
|
|
163
|
-
addControl('Default Visuals', () => PluginWrapper.updateStyle());
|
|
164
|
-
|
|
165
|
-
addSeparator();
|
|
166
|
-
addHeader('HET Groups');
|
|
167
|
-
|
|
168
|
-
addControl('Reset', () => PluginWrapper.hetGroups.reset());
|
|
169
|
-
addHetGroupsContainer();
|
|
170
|
-
|
|
171
|
-
addSeparator();
|
|
172
|
-
addHeader('Exp. Data');
|
|
173
|
-
addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
|
|
174
|
-
addControl('Remove', () => PluginWrapper.experimentalData.remove());
|
|
175
|
-
|
|
176
|
-
addSeparator();
|
|
177
|
-
addHeader('State');
|
|
178
|
-
|
|
179
|
-
var snapshot;
|
|
180
|
-
addControl('Set Snapshot', () => {
|
|
181
|
-
// const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
|
|
182
|
-
snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
|
|
183
|
-
// console.log(JSON.stringify(snapshot, null, 2));
|
|
184
|
-
});
|
|
185
|
-
addControl('Restore Snapshot', () => {
|
|
186
|
-
if (!snapshot) return;
|
|
187
|
-
PluginWrapper.snapshot.set(snapshot);
|
|
188
|
-
});
|
|
189
|
-
addControl('Download State', () => {
|
|
190
|
-
PluginWrapper.snapshot.download('molj');
|
|
191
|
-
});
|
|
192
|
-
addControl('Download Session', () => {
|
|
193
|
-
PluginWrapper.snapshot.download('molx');
|
|
194
|
-
});
|
|
195
|
-
|
|
196
|
-
////////////////////////////////////////////////////////
|
|
197
|
-
|
|
198
|
-
function addHetGroupsContainer() {
|
|
199
|
-
var div = document.createElement('div');
|
|
200
|
-
div.id = 'het-groups';
|
|
201
|
-
$('controls').appendChild(div);
|
|
202
|
-
}
|
|
203
|
-
|
|
204
|
-
function addControl(label, action) {
|
|
205
|
-
var btn = document.createElement('button');
|
|
206
|
-
btn.onclick = action;
|
|
207
|
-
btn.innerText = label;
|
|
208
|
-
$('controls').appendChild(btn);
|
|
209
|
-
}
|
|
210
|
-
|
|
211
|
-
function addSeparator() {
|
|
212
|
-
var hr = document.createElement('hr');
|
|
213
|
-
$('controls').appendChild(hr);
|
|
214
|
-
}
|
|
215
|
-
|
|
216
|
-
function addHeader(header) {
|
|
217
|
-
var h = document.createElement('h3');
|
|
218
|
-
h.innerText = header;
|
|
219
|
-
$('controls').appendChild(h);
|
|
220
|
-
}
|
|
221
|
-
|
|
222
|
-
function listHetGroups(info) {
|
|
223
|
-
var div = $('het-groups');
|
|
224
|
-
div.innerHTML = '';
|
|
225
|
-
info.hetResidues.forEach(function (r) {
|
|
226
|
-
var l = document.createElement('button');
|
|
227
|
-
l.innerText = r.name;
|
|
228
|
-
l.onclick = function () {
|
|
229
|
-
PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
|
|
230
|
-
};
|
|
231
|
-
div.appendChild(l);
|
|
232
|
-
});
|
|
233
|
-
}
|
|
234
|
-
</script>
|
|
235
|
-
</body>
|
|
1
|
+
<!DOCTYPE html>
|
|
2
|
+
<html lang="en">
|
|
3
|
+
<head>
|
|
4
|
+
<meta charset="utf-8" />
|
|
5
|
+
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
|
|
6
|
+
<title>Mol* Proteopedia Wrapper</title>
|
|
7
|
+
<style>
|
|
8
|
+
* {
|
|
9
|
+
margin: 0;
|
|
10
|
+
padding: 0;
|
|
11
|
+
box-sizing: border-box;
|
|
12
|
+
}
|
|
13
|
+
#app {
|
|
14
|
+
position: absolute;
|
|
15
|
+
left: 160px;
|
|
16
|
+
top: 100px;
|
|
17
|
+
width: 600px;
|
|
18
|
+
height: 600px;
|
|
19
|
+
border: 1px solid #ccc;
|
|
20
|
+
}
|
|
21
|
+
|
|
22
|
+
#controls {
|
|
23
|
+
position: absolute;
|
|
24
|
+
width: 130px;
|
|
25
|
+
top: 10px;
|
|
26
|
+
left: 10px;
|
|
27
|
+
}
|
|
28
|
+
|
|
29
|
+
#controls > button {
|
|
30
|
+
display: block;
|
|
31
|
+
width: 100%;
|
|
32
|
+
text-align: left;
|
|
33
|
+
}
|
|
34
|
+
|
|
35
|
+
#controls > hr {
|
|
36
|
+
margin: 5px 0;
|
|
37
|
+
}
|
|
38
|
+
|
|
39
|
+
#controls > input, #controls > select {
|
|
40
|
+
width: 100%;
|
|
41
|
+
display: block;
|
|
42
|
+
}
|
|
43
|
+
|
|
44
|
+
#volume-streaming-wrapper {
|
|
45
|
+
position: absolute;
|
|
46
|
+
top: 100px;
|
|
47
|
+
left: 780px;
|
|
48
|
+
width: 300px;
|
|
49
|
+
}
|
|
50
|
+
</style>
|
|
51
|
+
<link rel="stylesheet" type="text/css" href="molstar.css" />
|
|
52
|
+
<script type="text/javascript" src="./index.js"></script>
|
|
53
|
+
</head>
|
|
54
|
+
<body>
|
|
55
|
+
<div id='controls'>
|
|
56
|
+
<h3>Source</h3>
|
|
57
|
+
<input type='text' id='url' placeholder='url' style='width: 400px' />
|
|
58
|
+
<input type='text' id='assemblyId' placeholder='assembly id' />
|
|
59
|
+
<select id='format'>
|
|
60
|
+
<option value='cif' selected>CIF</option>
|
|
61
|
+
<option value='pdb'>PDB</option>
|
|
62
|
+
</select>
|
|
63
|
+
<input type='checkbox' id='isBinary' style="display: inline-block; width: auto" /> <label for="isBinary"> Binary</label><br />
|
|
64
|
+
</div>
|
|
65
|
+
<div id="app"></div>
|
|
66
|
+
<div id="volume-streaming-wrapper"></div>
|
|
67
|
+
<script>
|
|
68
|
+
// it might be a good idea to define these colors in a separate script file
|
|
69
|
+
var CustomColors = [0x00ff00, 0x0000ff];
|
|
70
|
+
|
|
71
|
+
// create an instance of the plugin
|
|
72
|
+
var PluginWrapper = new MolStarProteopediaWrapper();
|
|
73
|
+
|
|
74
|
+
console.log('Wrapper version', MolStarProteopediaWrapper.VERSION_MAJOR, MolStarProteopediaWrapper.VERSION_MINOR);
|
|
75
|
+
|
|
76
|
+
function $(id) { return document.getElementById(id); }
|
|
77
|
+
|
|
78
|
+
var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
|
|
79
|
+
var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
|
|
80
|
+
var format = 'cif';
|
|
81
|
+
|
|
82
|
+
$('url').value = url;
|
|
83
|
+
$('url').onchange = function (e) { url = e.target.value; }
|
|
84
|
+
$('assemblyId').value = assemblyId;
|
|
85
|
+
$('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
|
|
86
|
+
$('format').value = format;
|
|
87
|
+
$('format').onchange = function (e) { format = e.target.value; }
|
|
88
|
+
$('isBinary').checked = isBinary;
|
|
89
|
+
$('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
|
|
90
|
+
|
|
91
|
+
function loadAndSnapshot(params) {
|
|
92
|
+
PluginWrapper.load(params).then(() => {
|
|
93
|
+
setTimeout(() => snapshot = PluginWrapper.plugin.state.getSnapshot({ canvas3d: false /* do not save spinning state */ }), 500);
|
|
94
|
+
});
|
|
95
|
+
}
|
|
96
|
+
|
|
97
|
+
var representationStyle = {
|
|
98
|
+
// sequence: { coloring: 'proteopedia-custom' }, // or just { }
|
|
99
|
+
hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
|
|
100
|
+
water: { hide: true },
|
|
101
|
+
snfg3d: { hide: false }
|
|
102
|
+
};
|
|
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|
+
|
|
104
|
+
PluginWrapper.init('app' /** or document.getElementById('app') */, {
|
|
105
|
+
customColorList: CustomColors
|
|
106
|
+
});
|
|
107
|
+
PluginWrapper.setBackground(0xffffff);
|
|
108
|
+
loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
|
|
109
|
+
PluginWrapper.toggleSpin();
|
|
110
|
+
|
|
111
|
+
PluginWrapper.events.modelInfo.subscribe(function (info) {
|
|
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|
+
console.log('Model Info', info);
|
|
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|
+
listHetGroups(info);
|
|
114
|
+
});
|
|
115
|
+
|
|
116
|
+
addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
|
|
117
|
+
addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
|
|
118
|
+
|
|
119
|
+
addSeparator();
|
|
120
|
+
|
|
121
|
+
addHeader('Representation');
|
|
122
|
+
|
|
123
|
+
addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
|
|
124
|
+
addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
|
|
125
|
+
|
|
126
|
+
addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
|
|
127
|
+
addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
|
|
128
|
+
|
|
129
|
+
addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
|
|
130
|
+
addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
|
|
131
|
+
|
|
132
|
+
addControl('Hide Water', () => PluginWrapper.updateStyle({ water: { hide: true } }, true));
|
|
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|
+
addControl('Show Water', () => PluginWrapper.updateStyle({ water: { hide: false } }, true));
|
|
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|
+
|
|
135
|
+
addSeparator();
|
|
136
|
+
|
|
137
|
+
addHeader('Camera');
|
|
138
|
+
addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
|
|
139
|
+
addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
|
|
140
|
+
// Same as "wheel icon" and Viewport options
|
|
141
|
+
// addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
|
|
142
|
+
// addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
|
|
143
|
+
|
|
144
|
+
addSeparator();
|
|
145
|
+
|
|
146
|
+
addHeader('Animation');
|
|
147
|
+
|
|
148
|
+
// adjust this number to make the animation faster or slower
|
|
149
|
+
// requires to "restart" the animation if changed
|
|
150
|
+
PluginWrapper.animate.modelIndex.targetFps = 30;
|
|
151
|
+
|
|
152
|
+
addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
|
|
153
|
+
addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
|
|
154
|
+
addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
|
|
155
|
+
addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
|
|
156
|
+
addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
|
|
157
|
+
|
|
158
|
+
addSeparator();
|
|
159
|
+
addHeader('Misc');
|
|
160
|
+
|
|
161
|
+
addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
|
|
162
|
+
addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
|
|
163
|
+
addControl('Default Visuals', () => PluginWrapper.updateStyle());
|
|
164
|
+
|
|
165
|
+
addSeparator();
|
|
166
|
+
addHeader('HET Groups');
|
|
167
|
+
|
|
168
|
+
addControl('Reset', () => PluginWrapper.hetGroups.reset());
|
|
169
|
+
addHetGroupsContainer();
|
|
170
|
+
|
|
171
|
+
addSeparator();
|
|
172
|
+
addHeader('Exp. Data');
|
|
173
|
+
addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
|
|
174
|
+
addControl('Remove', () => PluginWrapper.experimentalData.remove());
|
|
175
|
+
|
|
176
|
+
addSeparator();
|
|
177
|
+
addHeader('State');
|
|
178
|
+
|
|
179
|
+
var snapshot;
|
|
180
|
+
addControl('Set Snapshot', () => {
|
|
181
|
+
// const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
|
|
182
|
+
snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
|
|
183
|
+
// console.log(JSON.stringify(snapshot, null, 2));
|
|
184
|
+
});
|
|
185
|
+
addControl('Restore Snapshot', () => {
|
|
186
|
+
if (!snapshot) return;
|
|
187
|
+
PluginWrapper.snapshot.set(snapshot);
|
|
188
|
+
});
|
|
189
|
+
addControl('Download State', () => {
|
|
190
|
+
PluginWrapper.snapshot.download('molj');
|
|
191
|
+
});
|
|
192
|
+
addControl('Download Session', () => {
|
|
193
|
+
PluginWrapper.snapshot.download('molx');
|
|
194
|
+
});
|
|
195
|
+
|
|
196
|
+
////////////////////////////////////////////////////////
|
|
197
|
+
|
|
198
|
+
function addHetGroupsContainer() {
|
|
199
|
+
var div = document.createElement('div');
|
|
200
|
+
div.id = 'het-groups';
|
|
201
|
+
$('controls').appendChild(div);
|
|
202
|
+
}
|
|
203
|
+
|
|
204
|
+
function addControl(label, action) {
|
|
205
|
+
var btn = document.createElement('button');
|
|
206
|
+
btn.onclick = action;
|
|
207
|
+
btn.innerText = label;
|
|
208
|
+
$('controls').appendChild(btn);
|
|
209
|
+
}
|
|
210
|
+
|
|
211
|
+
function addSeparator() {
|
|
212
|
+
var hr = document.createElement('hr');
|
|
213
|
+
$('controls').appendChild(hr);
|
|
214
|
+
}
|
|
215
|
+
|
|
216
|
+
function addHeader(header) {
|
|
217
|
+
var h = document.createElement('h3');
|
|
218
|
+
h.innerText = header;
|
|
219
|
+
$('controls').appendChild(h);
|
|
220
|
+
}
|
|
221
|
+
|
|
222
|
+
function listHetGroups(info) {
|
|
223
|
+
var div = $('het-groups');
|
|
224
|
+
div.innerHTML = '';
|
|
225
|
+
info.hetResidues.forEach(function (r) {
|
|
226
|
+
var l = document.createElement('button');
|
|
227
|
+
l.innerText = r.name;
|
|
228
|
+
l.onclick = function () {
|
|
229
|
+
PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
|
|
230
|
+
};
|
|
231
|
+
div.appendChild(l);
|
|
232
|
+
});
|
|
233
|
+
}
|
|
234
|
+
</script>
|
|
235
|
+
</body>
|
|
236
236
|
</html>
|
|
@@ -26,7 +26,11 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
|
|
|
26
26
|
radiusFactor: number;
|
|
27
27
|
sizeFactor: number;
|
|
28
28
|
alpha: number;
|
|
29
|
-
quality: "
|
|
29
|
+
quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
|
|
30
|
+
material: PD.Normalize<{
|
|
31
|
+
metalness: number;
|
|
32
|
+
roughness: number;
|
|
33
|
+
}>;
|
|
30
34
|
sectorOpacity: number;
|
|
31
35
|
doubleSided: boolean;
|
|
32
36
|
flipSided: boolean;
|
|
@@ -36,7 +40,7 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
|
|
|
36
40
|
}>>;
|
|
37
41
|
export declare const MembraneOrientationPreset: StructureRepresentationPresetProvider<{
|
|
38
42
|
ignoreHydrogens: boolean | undefined;
|
|
39
|
-
quality: "
|
|
43
|
+
quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
|
|
40
44
|
theme: PD.Normalize<{
|
|
41
45
|
globalName: any;
|
|
42
46
|
carbonColor: any;
|
|
@@ -19,7 +19,11 @@ declare const BilayerPlanesParams: {
|
|
|
19
19
|
ignoreLight: PD.BooleanParam;
|
|
20
20
|
xrayShaded: PD.BooleanParam;
|
|
21
21
|
alpha: PD.Numeric;
|
|
22
|
-
quality: PD.Select<"
|
|
22
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
23
|
+
material: PD.Group<PD.Normalize<{
|
|
24
|
+
metalness: number;
|
|
25
|
+
roughness: number;
|
|
26
|
+
}>>;
|
|
23
27
|
};
|
|
24
28
|
export declare type BilayerPlanesParams = typeof BilayerPlanesParams;
|
|
25
29
|
export declare type BilayerPlanesProps = PD.Values<BilayerPlanesParams>;
|
|
@@ -31,7 +35,11 @@ declare const BilayerRimsParams: {
|
|
|
31
35
|
radiusFactor: PD.Numeric;
|
|
32
36
|
sizeFactor: PD.Numeric;
|
|
33
37
|
alpha: PD.Numeric;
|
|
34
|
-
quality: PD.Select<"
|
|
38
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
39
|
+
material: PD.Group<PD.Normalize<{
|
|
40
|
+
metalness: number;
|
|
41
|
+
roughness: number;
|
|
42
|
+
}>>;
|
|
35
43
|
};
|
|
36
44
|
export declare type BilayerRimsParams = typeof BilayerRimsParams;
|
|
37
45
|
export declare type BilayerRimsProps = PD.Values<BilayerRimsParams>;
|
|
@@ -44,7 +52,11 @@ export declare const MembraneOrientationParams: {
|
|
|
44
52
|
radiusFactor: PD.Numeric;
|
|
45
53
|
sizeFactor: PD.Numeric;
|
|
46
54
|
alpha: PD.Numeric;
|
|
47
|
-
quality: PD.Select<"
|
|
55
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
56
|
+
material: PD.Group<PD.Normalize<{
|
|
57
|
+
metalness: number;
|
|
58
|
+
roughness: number;
|
|
59
|
+
}>>;
|
|
48
60
|
sectorOpacity: PD.Numeric;
|
|
49
61
|
doubleSided: PD.BooleanParam;
|
|
50
62
|
flipSided: PD.BooleanParam;
|
|
@@ -63,7 +75,11 @@ export declare function getMembraneOrientationParams(ctx: ThemeRegistryContext,
|
|
|
63
75
|
radiusFactor: PD.Numeric;
|
|
64
76
|
sizeFactor: PD.Numeric;
|
|
65
77
|
alpha: PD.Numeric;
|
|
66
|
-
quality: PD.Select<"
|
|
78
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
79
|
+
material: PD.Group<PD.Normalize<{
|
|
80
|
+
metalness: number;
|
|
81
|
+
roughness: number;
|
|
82
|
+
}>>;
|
|
67
83
|
sectorOpacity: PD.Numeric;
|
|
68
84
|
doubleSided: PD.BooleanParam;
|
|
69
85
|
flipSided: PD.BooleanParam;
|
|
@@ -82,7 +98,11 @@ export declare const MembraneOrientationRepresentationProvider: StructureReprese
|
|
|
82
98
|
radiusFactor: PD.Numeric;
|
|
83
99
|
sizeFactor: PD.Numeric;
|
|
84
100
|
alpha: PD.Numeric;
|
|
85
|
-
quality: PD.Select<"
|
|
101
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
102
|
+
material: PD.Group<PD.Normalize<{
|
|
103
|
+
metalness: number;
|
|
104
|
+
roughness: number;
|
|
105
|
+
}>>;
|
|
86
106
|
sectorOpacity: PD.Numeric;
|
|
87
107
|
doubleSided: PD.BooleanParam;
|
|
88
108
|
flipSided: PD.BooleanParam;
|
|
@@ -19,10 +19,10 @@ export declare const MBParams: {
|
|
|
19
19
|
quality: {
|
|
20
20
|
isEssential: boolean;
|
|
21
21
|
type: "select";
|
|
22
|
-
options: readonly (readonly ["
|
|
22
|
+
options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
|
|
23
23
|
cycle?: boolean | undefined;
|
|
24
24
|
isOptional?: boolean | undefined;
|
|
25
|
-
defaultValue: "
|
|
25
|
+
defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
|
|
26
26
|
label?: string | undefined;
|
|
27
27
|
description?: string | undefined;
|
|
28
28
|
legend?: import("../../mol-util/legend").Legend | undefined;
|
|
@@ -45,6 +45,10 @@ export declare const MBParams: {
|
|
|
45
45
|
ignoreLight: PD.BooleanParam;
|
|
46
46
|
xrayShaded: PD.BooleanParam;
|
|
47
47
|
alpha: PD.Numeric;
|
|
48
|
+
material: PD.Group<PD.Normalize<{
|
|
49
|
+
metalness: number;
|
|
50
|
+
roughness: number;
|
|
51
|
+
}>>;
|
|
48
52
|
};
|
|
49
53
|
export declare type MBParams = typeof MBParams;
|
|
50
54
|
export declare type UnitcellProps = PD.Values<MBParams>;
|
|
@@ -9,7 +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
|
-
quality: "
|
|
12
|
+
quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
|
|
13
13
|
theme: PD.Normalize<{
|
|
14
14
|
globalName: any;
|
|
15
15
|
carbonColor: any;
|
|
@@ -18,7 +18,11 @@ export declare const ConfalPyramidsParams: {
|
|
|
18
18
|
ignoreLight: PD.BooleanParam;
|
|
19
19
|
xrayShaded: PD.BooleanParam;
|
|
20
20
|
alpha: PD.Numeric;
|
|
21
|
-
quality: PD.Select<"
|
|
21
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
22
|
+
material: PD.Group<PD.Normalize<{
|
|
23
|
+
metalness: number;
|
|
24
|
+
roughness: number;
|
|
25
|
+
}>>;
|
|
22
26
|
};
|
|
23
27
|
export declare type ConfalPyramidsParams = typeof ConfalPyramidsParams;
|
|
24
28
|
export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, structure: Structure): {
|
|
@@ -30,7 +34,11 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
|
|
|
30
34
|
ignoreLight: PD.BooleanParam;
|
|
31
35
|
xrayShaded: PD.BooleanParam;
|
|
32
36
|
alpha: PD.Numeric;
|
|
33
|
-
quality: PD.Select<"
|
|
37
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
38
|
+
material: PD.Group<PD.Normalize<{
|
|
39
|
+
metalness: number;
|
|
40
|
+
roughness: number;
|
|
41
|
+
}>>;
|
|
34
42
|
};
|
|
35
43
|
export declare type ConfalPyramidsRepresentation = StructureRepresentation<ConfalPyramidsParams>;
|
|
36
44
|
export declare function ConfalPyramidsRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ConfalPyramidsParams>): ConfalPyramidsRepresentation;
|
|
@@ -43,5 +51,9 @@ export declare const ConfalPyramidsRepresentationProvider: StructureRepresentati
|
|
|
43
51
|
ignoreLight: PD.BooleanParam;
|
|
44
52
|
xrayShaded: PD.BooleanParam;
|
|
45
53
|
alpha: PD.Numeric;
|
|
46
|
-
quality: PD.Select<"
|
|
54
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
55
|
+
material: PD.Group<PD.Normalize<{
|
|
56
|
+
metalness: number;
|
|
57
|
+
roughness: number;
|
|
58
|
+
}>>;
|
|
47
59
|
}, "confal-pyramids">;
|