molstar 4.0.1 → 4.2.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +197 -197
- package/build/viewer/embedded.html +52 -52
- package/build/viewer/index.html +129 -129
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +0 -9
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/viewport.d.ts +8 -8
- package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
- package/lib/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/generic/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/state.d.ts +19 -10
- package/lib/apps/mesoscale-explorer/data/state.js +14 -2
- package/lib/apps/mesoscale-explorer/index.html +100 -100
- package/lib/apps/mesoscale-explorer/style.scss +33 -33
- package/lib/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
- package/lib/apps/mesoscale-explorer/ui/entities.js +23 -4
- package/lib/apps/viewer/app.d.ts +30 -24
- package/lib/apps/viewer/app.js +6 -6
- package/lib/apps/viewer/embedded.html +52 -52
- package/lib/apps/viewer/index.html +129 -129
- package/lib/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/cli/chem-comp-dict/util.d.ts +112 -112
- package/lib/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/cli/cifschema/util/generate.js +12 -12
- package/lib/cli/lipid-params/index.js +9 -9
- package/lib/cli/mvs/mvs-print-schema.d.ts +1 -0
- package/lib/cli/mvs/mvs-print-schema.js +1 -0
- package/lib/cli/mvs/mvs-render.d.ts +1 -0
- package/lib/cli/mvs/mvs-render.js +1 -0
- package/lib/cli/mvs/mvs-validate.d.ts +1 -0
- package/lib/cli/mvs/mvs-validate.js +1 -0
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +8 -8
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +19 -10
- package/lib/commonjs/apps/mesoscale-explorer/data/state.js +15 -3
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +22 -3
- package/lib/commonjs/apps/viewer/app.d.ts +30 -24
- package/lib/commonjs/apps/viewer/app.js +6 -6
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +112 -112
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -12
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/mvs/mvs-print-schema.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-print-schema.js +1 -0
- package/lib/commonjs/cli/mvs/mvs-render.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-render.js +1 -0
- package/lib/commonjs/cli/mvs/mvs-validate.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-validate.js +1 -0
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/behavior.d.ts +10 -9
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -0
- package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +2 -1
- package/lib/commonjs/extensions/assembly-symmetry/prop.js +24 -24
- package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/backgrounds/index.d.ts +2 -2
- package/lib/commonjs/extensions/backgrounds/index.js +2 -1
- package/lib/commonjs/extensions/dnatco/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +10 -10
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +5 -5
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.d.ts +10 -10
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +5 -5
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
- package/lib/commonjs/extensions/g3d/format.d.ts +6 -6
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +6 -4
- package/lib/commonjs/extensions/geo-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +2 -3
- package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +2 -2
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +9 -9
- package/lib/commonjs/extensions/model-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/mp4-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/camera.d.ts +2 -0
- package/lib/commonjs/extensions/mvs/camera.js +29 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +4 -0
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +1 -0
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +4 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +1 -0
- package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -4
- package/lib/commonjs/extensions/mvs/components/formats.js +2 -1
- package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/load.d.ts +2 -0
- package/lib/commonjs/extensions/mvs/load.js +12 -6
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +2 -8
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +22 -22
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/preset.d.ts +4 -4
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-meshes.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +5 -5
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-segmentation.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/helpers.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/index.d.ts +1 -1
- package/lib/commonjs/extensions/wwpdb/ccd/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/wwpdb/ccd/representation.d.ts +4 -4
- package/lib/commonjs/extensions/zenodo/index.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.js +2 -2
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/background.d.ts +6 -1
- package/lib/commonjs/mol-canvas3d/passes/background.js +13 -1
- package/lib/commonjs/mol-canvas3d/passes/bloom.d.ts +37 -0
- package/lib/commonjs/mol-canvas3d/passes/bloom.js +272 -0
- package/lib/commonjs/mol-canvas3d/passes/dpoit.js +4 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +11 -7
- package/lib/commonjs/mol-canvas3d/passes/draw.js +29 -3
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +6 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +31 -5
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +35 -40
- package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/base.js +4 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -1
- package/lib/commonjs/mol-geo/geometry/emissive-data.d.ts +26 -0
- package/lib/commonjs/mol-geo/geometry/emissive-data.js +80 -0
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +3 -2
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +36 -2
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +11 -4
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -2
- package/lib/commonjs/mol-geo/geometry/points/points.js +4 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +4 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +34 -2
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +14 -4
- package/lib/commonjs/mol-geo/util/location-iterator.d.ts +5 -2
- package/lib/commonjs/mol-geo/util/location-iterator.js +8 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +24 -1
- package/lib/commonjs/mol-gl/renderable/schema.js +15 -2
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable.d.ts +1 -1
- package/lib/commonjs/mol-gl/renderable.js +2 -2
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -1
- package/lib/commonjs/mol-gl/renderer.js +58 -49
- package/lib/commonjs/mol-gl/scene.d.ts +3 -1
- package/lib/commonjs/mol-gl/scene.js +26 -1
- package/lib/commonjs/mol-gl/shader/background.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/background.frag.js +95 -94
- package/lib/commonjs/mol-gl/shader/background.vert.js +11 -11
- package/lib/commonjs/mol-gl/shader/blend-back-dpoit.frag.js +13 -13
- package/lib/commonjs/mol-gl/shader/bloom/blur.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/blur.frag.js +32 -0
- package/lib/commonjs/mol-gl/shader/bloom/composite.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/composite.frag.js +37 -0
- package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.js +56 -0
- package/lib/commonjs/mol-gl/shader/cas.frag.js +144 -144
- package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +31 -31
- package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +12 -12
- 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 +78 -70
- package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +16 -16
- package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +8 -8
- 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 +140 -112
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +6 -6
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +8 -8
- 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 +112 -123
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +14 -14
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +18 -18
- package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +12 -12
- package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.js +20 -0
- package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +7 -7
- package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +5 -5
- 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 +60 -51
- 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 +122 -92
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +150 -149
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +61 -61
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +234 -234
- package/lib/commonjs/mol-gl/shader/chunks/dpoit-write.glsl.js +62 -62
- package/lib/commonjs/mol-gl/shader/chunks/fade-lod.glsl.js +42 -42
- package/lib/commonjs/mol-gl/shader/chunks/float-to-rgba.glsl.js +39 -39
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +127 -127
- package/lib/commonjs/mol-gl/shader/chunks/matrix-scale.glsl.js +5 -5
- package/lib/commonjs/mol-gl/shader/chunks/normal-frag-params.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/read-from-texture.glsl.js +14 -14
- package/lib/commonjs/mol-gl/shader/chunks/rgba-to-float.glsl.js +84 -84
- package/lib/commonjs/mol-gl/shader/chunks/size-vert-params.glsl.js +11 -11
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +23 -23
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +17 -17
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +8 -8
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +25 -25
- package/lib/commonjs/mol-gl/shader/compose.frag.js +12 -12
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +23 -23
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +43 -43
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +15 -15
- package/lib/commonjs/mol-gl/shader/copy.frag.js +11 -11
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +267 -264
- package/lib/commonjs/mol-gl/shader/cylinders.vert.js +89 -89
- package/lib/commonjs/mol-gl/shader/depth-merge.frag.js +23 -23
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +362 -356
- package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +41 -41
- package/lib/commonjs/mol-gl/shader/evaluate-dpoit.frag.js +10 -10
- package/lib/commonjs/mol-gl/shader/evaluate-wboit.frag.js +17 -17
- package/lib/commonjs/mol-gl/shader/fxaa.frag.js +228 -228
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +49 -49
- package/lib/commonjs/mol-gl/shader/gaussian-density.vert.js +27 -27
- package/lib/commonjs/mol-gl/shader/hi-z.frag.js +18 -18
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +58 -58
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/sum.frag.js +19 -19
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +170 -161
- package/lib/commonjs/mol-gl/shader/image.vert.js +21 -21
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +43 -40
- package/lib/commonjs/mol-gl/shader/lines.vert.js +117 -117
- package/lib/commonjs/mol-gl/shader/marching-cubes/active-voxels.frag.js +70 -70
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +311 -311
- package/lib/commonjs/mol-gl/shader/marking/edge.frag.js +28 -28
- package/lib/commonjs/mol-gl/shader/marking/overlay.frag.js +26 -26
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +66 -63
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +49 -49
- package/lib/commonjs/mol-gl/shader/outlines.frag.js +95 -95
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +60 -56
- package/lib/commonjs/mol-gl/shader/points.vert.js +38 -38
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +150 -150
- package/lib/commonjs/mol-gl/shader/quad.vert.js +10 -10
- package/lib/commonjs/mol-gl/shader/shadows.frag.js +123 -123
- package/lib/commonjs/mol-gl/shader/smaa/blend.frag.js +56 -56
- package/lib/commonjs/mol-gl/shader/smaa/blend.vert.js +25 -25
- package/lib/commonjs/mol-gl/shader/smaa/edges.frag.js +66 -66
- package/lib/commonjs/mol-gl/shader/smaa/edges.vert.js +26 -26
- package/lib/commonjs/mol-gl/shader/smaa/weights.frag.js +206 -206
- package/lib/commonjs/mol-gl/shader/smaa/weights.vert.js +32 -32
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- package/lib/mol-repr/volume/direct-volume.d.ts +3 -0
- package/lib/mol-repr/volume/isosurface.d.ts +6 -0
- package/lib/mol-repr/volume/registry.d.ts +4 -0
- package/lib/mol-repr/volume/representation.d.ts +2 -1
- package/lib/mol-repr/volume/representation.js +9 -2
- package/lib/mol-repr/volume/segment.d.ts +5 -0
- package/lib/mol-repr/volume/slice.d.ts +3 -0
- package/lib/mol-script/language/symbol-table/core.d.ts +3 -3
- package/lib/mol-state/tree/immutable.d.ts +1 -1
- package/lib/mol-state/tree/transient.d.ts +2 -2
- package/lib/mol-theme/color/external-volume.d.ts +3 -1
- package/lib/mol-theme/color/external-volume.js +8 -2
- package/lib/mol-theme/color.d.ts +1 -0
- package/lib/mol-theme/emissive.d.ts +40 -0
- package/lib/mol-theme/emissive.js +134 -0
- package/lib/mol-theme/substance.d.ts +1 -1
- package/lib/mol-theme/substance.js +2 -2
- package/lib/mol-theme/transparency.d.ts +0 -1
- package/lib/mol-util/input/input-observer.js +2 -0
- package/lib/mol-util/set.d.ts +1 -1
- package/lib/mol-util/set.js +17 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/servers/volume/config.js +5 -5
- package/package.json +195 -193
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<!DOCTYPE html>
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<html lang="en">
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<head>
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<meta charset="utf-8" />
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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 $(id) { return document.getElementById(id); }
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var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
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var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
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var format = 'cif';
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$('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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$('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
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$('format').value = format;
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$('format').onchange = function (e) { format = e.target.value; }
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$('isBinary').checked = isBinary;
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$('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
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function loadAndSnapshot(params) {
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PluginWrapper.load(params).then(() => {
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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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}
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var representationStyle = {
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// sequence: { coloring: 'proteopedia-custom' }, // or just { }
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hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
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water: { hide: true },
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snfg3d: { hide: false }
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};
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PluginWrapper.init('app' /** or document.getElementById('app') */, {
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customColorList: CustomColors
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}).then(() => {
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PluginWrapper.setBackground(0xffffff);
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loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
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PluginWrapper.toggleSpin();
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});
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PluginWrapper.events.modelInfo.subscribe(function (info) {
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console.log('Model Info', info);
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listHetGroups(info);
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});
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addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
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addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
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addSeparator();
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addHeader('Representation');
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addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
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addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
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addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
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addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
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addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
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addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
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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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addSeparator();
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addHeader('Camera');
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addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
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addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
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// Same as "wheel icon" and Viewport options
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// addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
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// addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
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addSeparator();
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addHeader('Animation');
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// adjust this number to make the animation faster or slower
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// requires to "restart" the animation if changed
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PluginWrapper.animate.modelIndex.targetFps = 30;
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addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
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addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
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addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
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addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
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addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
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addSeparator();
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addHeader('Misc');
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addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
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addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
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addControl('Default Visuals', () => PluginWrapper.updateStyle());
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addSeparator();
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addHeader('HET Groups');
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addControl('Reset', () => PluginWrapper.hetGroups.reset());
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addHetGroupsContainer();
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addSeparator();
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addHeader('Exp. Data');
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addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
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addControl('Remove', () => PluginWrapper.experimentalData.remove());
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addSeparator();
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addHeader('State');
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var snapshot;
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addControl('Set Snapshot', () => {
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// const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
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snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
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// console.log(JSON.stringify(snapshot, null, 2));
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});
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addControl('Restore Snapshot', () => {
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if (!snapshot) return;
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PluginWrapper.snapshot.set(snapshot);
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});
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addControl('Download State', () => {
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PluginWrapper.snapshot.download('molj');
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});
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addControl('Download Session', () => {
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PluginWrapper.snapshot.download('molx');
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});
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////////////////////////////////////////////////////////
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function addHetGroupsContainer() {
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var div = document.createElement('div');
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div.id = 'het-groups';
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$('controls').appendChild(div);
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}
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function addControl(label, action) {
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var btn = document.createElement('button');
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btn.onclick = action;
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btn.innerText = label;
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$('controls').appendChild(btn);
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}
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function addSeparator() {
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var hr = document.createElement('hr');
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$('controls').appendChild(hr);
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}
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function addHeader(header) {
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var h = document.createElement('h3');
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h.innerText = header;
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$('controls').appendChild(h);
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}
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function listHetGroups(info) {
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var div = $('het-groups');
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div.innerHTML = '';
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info.hetResidues.forEach(function (r) {
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var l = document.createElement('button');
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l.innerText = r.name;
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l.onclick = function () {
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PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
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};
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div.appendChild(l);
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});
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}
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</script>
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</body>
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<!DOCTYPE html>
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<html lang="en">
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<head>
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<meta charset="utf-8" />
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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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66
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<div id="volume-streaming-wrapper"></div>
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<script>
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68
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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];
|
|
70
|
+
|
|
71
|
+
// create an instance of the plugin
|
|
72
|
+
var PluginWrapper = new MolStarProteopediaWrapper();
|
|
73
|
+
|
|
74
|
+
console.log('Wrapper version', MolStarProteopediaWrapper.VERSION_MAJOR, MolStarProteopediaWrapper.VERSION_MINOR);
|
|
75
|
+
|
|
76
|
+
function $(id) { return document.getElementById(id); }
|
|
77
|
+
|
|
78
|
+
var pdbId = '1cbs', assemblyId= 'preferred', isBinary = true;
|
|
79
|
+
var url = 'https://www.ebi.ac.uk/pdbe/entry-files/download/' + pdbId + '.bcif'
|
|
80
|
+
var format = 'cif';
|
|
81
|
+
|
|
82
|
+
$('url').value = url;
|
|
83
|
+
$('url').onchange = function (e) { url = e.target.value; }
|
|
84
|
+
$('assemblyId').value = assemblyId;
|
|
85
|
+
$('assemblyId').onchange = function (e) { assemblyId = e.target.value; }
|
|
86
|
+
$('format').value = format;
|
|
87
|
+
$('format').onchange = function (e) { format = e.target.value; }
|
|
88
|
+
$('isBinary').checked = isBinary;
|
|
89
|
+
$('isBinary').onchange = function (e) { isBinary = !!e.target.checked; };
|
|
90
|
+
|
|
91
|
+
function loadAndSnapshot(params) {
|
|
92
|
+
PluginWrapper.load(params).then(() => {
|
|
93
|
+
setTimeout(() => snapshot = PluginWrapper.plugin.state.getSnapshot({ canvas3d: false /* do not save spinning state */ }), 500);
|
|
94
|
+
});
|
|
95
|
+
}
|
|
96
|
+
|
|
97
|
+
var representationStyle = {
|
|
98
|
+
// sequence: { coloring: 'proteopedia-custom' }, // or just { }
|
|
99
|
+
hetGroups: { kind: 'ball-and-stick' }, // or 'spacefill
|
|
100
|
+
water: { hide: true },
|
|
101
|
+
snfg3d: { hide: false }
|
|
102
|
+
};
|
|
103
|
+
|
|
104
|
+
PluginWrapper.init('app' /** or document.getElementById('app') */, {
|
|
105
|
+
customColorList: CustomColors
|
|
106
|
+
}).then(() => {
|
|
107
|
+
PluginWrapper.setBackground(0xffffff);
|
|
108
|
+
loadAndSnapshot({ url: url, format: format, isBinary: isBinary, assemblyId: assemblyId, representationStyle: representationStyle });
|
|
109
|
+
PluginWrapper.toggleSpin();
|
|
110
|
+
});
|
|
111
|
+
|
|
112
|
+
PluginWrapper.events.modelInfo.subscribe(function (info) {
|
|
113
|
+
console.log('Model Info', info);
|
|
114
|
+
listHetGroups(info);
|
|
115
|
+
});
|
|
116
|
+
|
|
117
|
+
addControl('Load Asym Unit', () => loadAndSnapshot({ url: url, format: format, isBinary }));
|
|
118
|
+
addControl('Load Assembly', () => loadAndSnapshot({ url: url, format: format, isBinary, assemblyId: assemblyId }));
|
|
119
|
+
|
|
120
|
+
addSeparator();
|
|
121
|
+
|
|
122
|
+
addHeader('Representation');
|
|
123
|
+
|
|
124
|
+
addControl('Custom Chain Colors', () => PluginWrapper.updateStyle({ sequence: { coloring: 'proteopedia-custom' } }, true));
|
|
125
|
+
addControl('Default Chain Colors', () => PluginWrapper.updateStyle({ sequence: { } }, true));
|
|
126
|
+
|
|
127
|
+
addControl('HET Spacefill', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'spacefill' } }, true));
|
|
128
|
+
addControl('HET Ball-and-stick', () => PluginWrapper.updateStyle({ hetGroups: { kind: 'ball-and-stick' } }, true));
|
|
129
|
+
|
|
130
|
+
addControl('Hide 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: true } }, true));
|
|
131
|
+
addControl('Show 3DSNFG', () => PluginWrapper.updateStyle({ snfg3d: { hide: false } }, true));
|
|
132
|
+
|
|
133
|
+
addControl('Hide Water', () => PluginWrapper.updateStyle({ water: { hide: true } }, true));
|
|
134
|
+
addControl('Show Water', () => PluginWrapper.updateStyle({ water: { hide: false } }, true));
|
|
135
|
+
|
|
136
|
+
addSeparator();
|
|
137
|
+
|
|
138
|
+
addHeader('Camera');
|
|
139
|
+
addControl('Reset Position', () => PluginWrapper.camera.resetPosition());
|
|
140
|
+
addControl('Toggle Spin', () => PluginWrapper.camera.toggleSpin());
|
|
141
|
+
// Same as "wheel icon" and Viewport options
|
|
142
|
+
// addControl('Clip', () => PluginWrapper.viewport.setSettings({ clip: [33, 66] }));
|
|
143
|
+
// addControl('Reset Clip', () => PluginWrapper.viewport.setSettings({ clip: [1, 100] }));
|
|
144
|
+
|
|
145
|
+
addSeparator();
|
|
146
|
+
|
|
147
|
+
addHeader('Animation');
|
|
148
|
+
|
|
149
|
+
// adjust this number to make the animation faster or slower
|
|
150
|
+
// requires to "restart" the animation if changed
|
|
151
|
+
PluginWrapper.animate.modelIndex.targetFps = 30;
|
|
152
|
+
|
|
153
|
+
addControl('Play To End', () => PluginWrapper.animate.modelIndex.onceForward());
|
|
154
|
+
addControl('Play To Start', () => PluginWrapper.animate.modelIndex.onceBackward());
|
|
155
|
+
addControl('Play Palindrome', () => PluginWrapper.animate.modelIndex.palindrome());
|
|
156
|
+
addControl('Play Loop', () => PluginWrapper.animate.modelIndex.loop());
|
|
157
|
+
addControl('Stop', () => PluginWrapper.animate.modelIndex.stop());
|
|
158
|
+
|
|
159
|
+
addSeparator();
|
|
160
|
+
addHeader('Misc');
|
|
161
|
+
|
|
162
|
+
addControl('Apply Evo Cons Style', () => PluginWrapper.coloring.evolutionaryConservation());
|
|
163
|
+
addControl('Apply Evo Cons Colors', () => PluginWrapper.coloring.evolutionaryConservation({ sequence: true, het: false, keepStyle: true }));
|
|
164
|
+
addControl('Default Visuals', () => PluginWrapper.updateStyle());
|
|
165
|
+
|
|
166
|
+
addSeparator();
|
|
167
|
+
addHeader('HET Groups');
|
|
168
|
+
|
|
169
|
+
addControl('Reset', () => PluginWrapper.hetGroups.reset());
|
|
170
|
+
addHetGroupsContainer();
|
|
171
|
+
|
|
172
|
+
addSeparator();
|
|
173
|
+
addHeader('Exp. Data');
|
|
174
|
+
addControl('Init', () => PluginWrapper.experimentalData.init($('volume-streaming-wrapper')));
|
|
175
|
+
addControl('Remove', () => PluginWrapper.experimentalData.remove());
|
|
176
|
+
|
|
177
|
+
addSeparator();
|
|
178
|
+
addHeader('State');
|
|
179
|
+
|
|
180
|
+
var snapshot;
|
|
181
|
+
addControl('Set Snapshot', () => {
|
|
182
|
+
// const options = { data: true, behavior: false, animation: false, interactivity: false, canvas3d: false, camera: false, cameraTransition: false };
|
|
183
|
+
snapshot = PluginWrapper.plugin.state.getSnapshot(/** options */);
|
|
184
|
+
// console.log(JSON.stringify(snapshot, null, 2));
|
|
185
|
+
});
|
|
186
|
+
addControl('Restore Snapshot', () => {
|
|
187
|
+
if (!snapshot) return;
|
|
188
|
+
PluginWrapper.snapshot.set(snapshot);
|
|
189
|
+
});
|
|
190
|
+
addControl('Download State', () => {
|
|
191
|
+
PluginWrapper.snapshot.download('molj');
|
|
192
|
+
});
|
|
193
|
+
addControl('Download Session', () => {
|
|
194
|
+
PluginWrapper.snapshot.download('molx');
|
|
195
|
+
});
|
|
196
|
+
|
|
197
|
+
////////////////////////////////////////////////////////
|
|
198
|
+
|
|
199
|
+
function addHetGroupsContainer() {
|
|
200
|
+
var div = document.createElement('div');
|
|
201
|
+
div.id = 'het-groups';
|
|
202
|
+
$('controls').appendChild(div);
|
|
203
|
+
}
|
|
204
|
+
|
|
205
|
+
function addControl(label, action) {
|
|
206
|
+
var btn = document.createElement('button');
|
|
207
|
+
btn.onclick = action;
|
|
208
|
+
btn.innerText = label;
|
|
209
|
+
$('controls').appendChild(btn);
|
|
210
|
+
}
|
|
211
|
+
|
|
212
|
+
function addSeparator() {
|
|
213
|
+
var hr = document.createElement('hr');
|
|
214
|
+
$('controls').appendChild(hr);
|
|
215
|
+
}
|
|
216
|
+
|
|
217
|
+
function addHeader(header) {
|
|
218
|
+
var h = document.createElement('h3');
|
|
219
|
+
h.innerText = header;
|
|
220
|
+
$('controls').appendChild(h);
|
|
221
|
+
}
|
|
222
|
+
|
|
223
|
+
function listHetGroups(info) {
|
|
224
|
+
var div = $('het-groups');
|
|
225
|
+
div.innerHTML = '';
|
|
226
|
+
info.hetResidues.forEach(function (r) {
|
|
227
|
+
var l = document.createElement('button');
|
|
228
|
+
l.innerText = r.name;
|
|
229
|
+
l.onclick = function () {
|
|
230
|
+
PluginWrapper.hetGroups.focusFirst(r.name, { doNotLabelWaters: true });
|
|
231
|
+
};
|
|
232
|
+
div.appendChild(l);
|
|
233
|
+
});
|
|
234
|
+
}
|
|
235
|
+
</script>
|
|
236
|
+
</body>
|
|
237
237
|
</html>
|