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/visual.d.ts +6 -1
- package/lib/mol-repr/visual.js +57 -3
- 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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@@ -3,141 +3,141 @@
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*
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* @author David Sehnal <david.sehnal@gmail.com>
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*/
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export const UTILS = `
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float L1(vec3 p, float a0, float a1, float a2) {
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return a0 * p.z + a1 * p.x + a2 * p.y;
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}
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float L2(vec3 p, float a0, float a1, float a2, float a3, float a4) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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return (
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a0 * (-0.5 * xx - 0.5 * yy + zz) +
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a1 * (1.7320508075688772 * x * z) +
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a2 * (1.7320508075688772 * y * z) +
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a3 * (0.8660254037844386 * xx - 0.8660254037844386 * yy) +
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a4 * (1.7320508075688772 * x * y)
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);
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}
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float L3(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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float xxx = xx * x, yyy = yy * y, zzz = zz * z;
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return (
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a0 * (-1.5 * xx * z - 1.5 * yy * z + zzz) +
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a1 * (-0.6123724356957945 * xxx - 0.6123724356957945 * x * yy + 2.449489742783178 * x * zz) +
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a2 * (-0.6123724356957945 * xx * y - 0.6123724356957945 * yyy + 2.449489742783178 * y * zz) +
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a3 * (1.9364916731037085 * xx * z - 1.9364916731037085 * yy * z) +
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a4 * (3.872983346207417 * x * y * z) +
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a5 * (0.7905694150420949 * xxx - 2.3717082451262845 * x * yy) +
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a6 * (2.3717082451262845 * xx * y - 0.7905694150420949 * yyy)
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);
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}
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float L4(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6, float a7, float a8) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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float xxx = xx * x, yyy = yy * y, zzz = zz * z;
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float xxxx = xxx * x, yyyy = yyy * y, zzzz = zzz * z;
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return (
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a0 * (0.375 * xxxx + 0.75 * xx * yy + 0.375 * yyyy - 3.0 * xx * zz - 3.0 * yy * zz + zzzz) +
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a1 * (-2.3717082451262845 * xxx * z - 2.3717082451262845 * x * yy * z + 3.1622776601683795 * x * zzz) +
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a2 * (-2.3717082451262845 * xx * y * z - 2.3717082451262845 * yyy * z + 3.1622776601683795 * y * zzz) +
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a3 * (-0.5590169943749475 * xxxx + 0.5590169943749475 * yyyy + 3.3541019662496847 * xx * zz - 3.3541019662496847 * yy * zz) +
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a4 * (-1.118033988749895 * xxx * y - 1.118033988749895 * x * yyy + 6.708203932499369 * x * y * zz) +
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a5 * (2.091650066335189 * xxx * z + -6.274950199005566 * x * yy * z) +
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a6 * (6.274950199005566 * xx * y * z + -2.091650066335189 * yyy * z) +
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a7 * (0.739509972887452 * xxxx - 4.437059837324712 * xx * yy + 0.739509972887452 * yyyy) +
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a8 * (2.958039891549808 * xxx * y + -2.958039891549808 * x * yyy)
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);
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}
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float alpha(float offset, float f) {
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#ifdef WEBGL1
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// in webgl1, the value is in the alpha channel!
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return texture2D(tAlpha, vec2(offset * f, 0.5)).a;
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#else
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return texture2D(tAlpha, vec2(offset * f, 0.5)).x;
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#endif
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}
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float Y(int L, vec3 X, float aO, float fA) {
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if (L == 0) {
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return alpha(aO, fA);
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} else if (L == 1) {
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return L1(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA)
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);
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} else if (L == 2) {
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return L2(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA)
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);
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} else if (L == 3) {
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return L3(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
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alpha(aO + 5.0, fA), alpha(aO + 6.0, fA)
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);
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} else if (L == 4) {
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return L4(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
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alpha(aO + 5.0, fA), alpha(aO + 6.0, fA), alpha(aO + 7.0, fA), alpha(aO + 8.0, fA)
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);
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}
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// TODO: do we need L > 4?
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return 0.0;
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}
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#ifndef WEBGL1
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float R(float R2, int start, int end, float fCoeff) {
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float gauss = 0.0;
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for (int i = start; i < end; i++) {
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vec2 c = texture2D(tCoeff, vec2(float(i) * fCoeff, 0.5)).xy;
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gauss += c.x * exp(-c.y * R2);
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}
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return gauss;
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}
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#else
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float R(float R2, int start, int end, float fCoeff) {
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float gauss = 0.0;
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int o = start;
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for (int i = 0; i < uMaxCoeffs; i++) {
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if (o >= end) break;
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vec2 c = texture2D(tCoeff, vec2(float(o) * fCoeff, 0.5)).xy;
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gauss += c.x * exp(-c.y * R2);
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o++;
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}
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return gauss;
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}
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#endif
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export const UTILS = `
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float L1(vec3 p, float a0, float a1, float a2) {
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return a0 * p.z + a1 * p.x + a2 * p.y;
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}
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float L2(vec3 p, float a0, float a1, float a2, float a3, float a4) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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return (
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a0 * (-0.5 * xx - 0.5 * yy + zz) +
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a1 * (1.7320508075688772 * x * z) +
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a2 * (1.7320508075688772 * y * z) +
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a3 * (0.8660254037844386 * xx - 0.8660254037844386 * yy) +
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a4 * (1.7320508075688772 * x * y)
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);
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}
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float L3(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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float xxx = xx * x, yyy = yy * y, zzz = zz * z;
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return (
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a0 * (-1.5 * xx * z - 1.5 * yy * z + zzz) +
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a1 * (-0.6123724356957945 * xxx - 0.6123724356957945 * x * yy + 2.449489742783178 * x * zz) +
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a2 * (-0.6123724356957945 * xx * y - 0.6123724356957945 * yyy + 2.449489742783178 * y * zz) +
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a3 * (1.9364916731037085 * xx * z - 1.9364916731037085 * yy * z) +
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a4 * (3.872983346207417 * x * y * z) +
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a5 * (0.7905694150420949 * xxx - 2.3717082451262845 * x * yy) +
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a6 * (2.3717082451262845 * xx * y - 0.7905694150420949 * yyy)
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);
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}
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float L4(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6, float a7, float a8) {
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float x = p.x, y = p.y, z = p.z;
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float xx = x * x, yy = y * y, zz = z * z;
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float xxx = xx * x, yyy = yy * y, zzz = zz * z;
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float xxxx = xxx * x, yyyy = yyy * y, zzzz = zzz * z;
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return (
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a0 * (0.375 * xxxx + 0.75 * xx * yy + 0.375 * yyyy - 3.0 * xx * zz - 3.0 * yy * zz + zzzz) +
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a1 * (-2.3717082451262845 * xxx * z - 2.3717082451262845 * x * yy * z + 3.1622776601683795 * x * zzz) +
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a2 * (-2.3717082451262845 * xx * y * z - 2.3717082451262845 * yyy * z + 3.1622776601683795 * y * zzz) +
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a3 * (-0.5590169943749475 * xxxx + 0.5590169943749475 * yyyy + 3.3541019662496847 * xx * zz - 3.3541019662496847 * yy * zz) +
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a4 * (-1.118033988749895 * xxx * y - 1.118033988749895 * x * yyy + 6.708203932499369 * x * y * zz) +
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a5 * (2.091650066335189 * xxx * z + -6.274950199005566 * x * yy * z) +
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a6 * (6.274950199005566 * xx * y * z + -2.091650066335189 * yyy * z) +
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a7 * (0.739509972887452 * xxxx - 4.437059837324712 * xx * yy + 0.739509972887452 * yyyy) +
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a8 * (2.958039891549808 * xxx * y + -2.958039891549808 * x * yyy)
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);
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}
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float alpha(float offset, float f) {
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#ifdef WEBGL1
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// in webgl1, the value is in the alpha channel!
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return texture2D(tAlpha, vec2(offset * f, 0.5)).a;
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#else
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return texture2D(tAlpha, vec2(offset * f, 0.5)).x;
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#endif
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}
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float Y(int L, vec3 X, float aO, float fA) {
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if (L == 0) {
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return alpha(aO, fA);
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} else if (L == 1) {
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return L1(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA)
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);
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} else if (L == 2) {
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return L2(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA)
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);
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} else if (L == 3) {
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return L3(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
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alpha(aO + 5.0, fA), alpha(aO + 6.0, fA)
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);
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} else if (L == 4) {
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return L4(X,
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alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
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alpha(aO + 5.0, fA), alpha(aO + 6.0, fA), alpha(aO + 7.0, fA), alpha(aO + 8.0, fA)
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);
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}
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// TODO: do we need L > 4?
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return 0.0;
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}
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#ifndef WEBGL1
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float R(float R2, int start, int end, float fCoeff) {
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float gauss = 0.0;
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for (int i = start; i < end; i++) {
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vec2 c = texture2D(tCoeff, vec2(float(i) * fCoeff, 0.5)).xy;
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gauss += c.x * exp(-c.y * R2);
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}
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return gauss;
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}
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#else
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float R(float R2, int start, int end, float fCoeff) {
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float gauss = 0.0;
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int o = start;
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for (int i = 0; i < uMaxCoeffs; i++) {
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if (o >= end) break;
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vec2 c = texture2D(tCoeff, vec2(float(o) * fCoeff, 0.5)).xy;
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gauss += c.x * exp(-c.y * R2);
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o++;
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}
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return gauss;
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}
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#endif
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`;
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export const MAIN = `
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float fCenter = 1.0 / float(uNCenters - 1);
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float fCoeff = 1.0 / float(uNCoeff - 1);
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float fA = 1.0 / float(uNAlpha - 1);
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float v = 0.0;
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for (int i = 0; i < uNCenters; i++) {
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vec2 cCoord = vec2(float(i) * fCenter, 0.5);
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}
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export const MAIN = `
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float fCenter = 1.0 / float(uNCenters - 1);
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float fCoeff = 1.0 / float(uNCoeff - 1);
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}
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v += R(R2, coeffStart, coeffEnd, fCoeff) * Y(L, X, aO, fA);
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}
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`;
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@@ -17,7 +17,7 @@ declare const BasisAndOrbitals_base: {
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label: string;
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description?: string | undefined;
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} | undefined): {
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id: import("../../mol-util
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id: import("../../mol-util").UUID;
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type: PluginStateObject.TypeInfo;
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label: string;
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};
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is(obj?: import("../../mol-state
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is(obj?: import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>> | undefined): obj is import("../../mol-state").StateObject<{
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basis: Basis;
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orbitals: AlphaOrbital[];
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@@ -36,8 +36,9 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
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variant: any;
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objects: any;
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}>;
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emissive: number;
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instanceGranularity: boolean;
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lod: import("../../mol-math/linear-algebra
|
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lod: import("../../mol-math/linear-algebra").Vec3;
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cellSize: number;
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batchSize: number;
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sectorOpacity: number;
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@@ -68,19 +69,19 @@ export declare const MembraneOrientationPreset: StructureRepresentationPresetPro
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representations?: undefined;
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} | {
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polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state
|
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polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | undefined;
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} | {
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all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state
|
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all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
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branched: undefined;
|
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} | undefined;
|
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representations: {
|
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membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state
|
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membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
|
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} | {
|
|
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membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state
|
|
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polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state
|
|
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+
membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
|
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polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
|
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} | {
|
|
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membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state
|
|
83
|
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all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state
|
|
83
|
+
membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
|
|
84
|
+
all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
|
|
84
85
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};
|
|
85
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}>;
|
|
86
|
-
export declare function tryCreateMembraneOrientation(plugin: PluginContext, structure: StateObjectRef<PluginStateObject.Molecule.Structure>, params?: StateTransformer.Params<MembraneOrientation3D>, initialState?: Partial<StateTransform.State>): Promise<import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state
|
|
87
|
+
export declare function tryCreateMembraneOrientation(plugin: PluginContext, structure: StateObjectRef<PluginStateObject.Molecule.Structure>, params?: StateTransformer.Params<MembraneOrientation3D>, initialState?: Partial<StateTransform.State>): Promise<import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>>;
|
|
@@ -38,6 +38,7 @@ declare const BilayerPlanesParams: {
|
|
|
38
38
|
scale: any;
|
|
39
39
|
}>[];
|
|
40
40
|
}>>;
|
|
41
|
+
emissive: PD.Numeric;
|
|
41
42
|
instanceGranularity: PD.BooleanParam;
|
|
42
43
|
lod: PD.Vec3;
|
|
43
44
|
cellSize: PD.Numeric;
|
|
@@ -69,6 +70,7 @@ declare const BilayerRimsParams: {
|
|
|
69
70
|
scale: any;
|
|
70
71
|
}>[];
|
|
71
72
|
}>>;
|
|
73
|
+
emissive: PD.Numeric;
|
|
72
74
|
instanceGranularity: PD.BooleanParam;
|
|
73
75
|
lod: PD.Vec3;
|
|
74
76
|
cellSize: PD.Numeric;
|
|
@@ -101,6 +103,7 @@ export declare const MembraneOrientationParams: {
|
|
|
101
103
|
scale: any;
|
|
102
104
|
}>[];
|
|
103
105
|
}>>;
|
|
106
|
+
emissive: PD.Numeric;
|
|
104
107
|
instanceGranularity: PD.BooleanParam;
|
|
105
108
|
lod: PD.Vec3;
|
|
106
109
|
cellSize: PD.Numeric;
|
|
@@ -142,6 +145,7 @@ export declare function getMembraneOrientationParams(ctx: ThemeRegistryContext,
|
|
|
142
145
|
scale: any;
|
|
143
146
|
}>[];
|
|
144
147
|
}>>;
|
|
148
|
+
emissive: PD.Numeric;
|
|
145
149
|
instanceGranularity: PD.BooleanParam;
|
|
146
150
|
lod: PD.Vec3;
|
|
147
151
|
cellSize: PD.Numeric;
|
|
@@ -183,6 +187,7 @@ export declare const MembraneOrientationRepresentationProvider: StructureReprese
|
|
|
183
187
|
scale: any;
|
|
184
188
|
}>[];
|
|
185
189
|
}>>;
|
|
190
|
+
emissive: PD.Numeric;
|
|
186
191
|
instanceGranularity: PD.BooleanParam;
|
|
187
192
|
lod: PD.Vec3;
|
|
188
193
|
cellSize: PD.Numeric;
|
|
@@ -42,8 +42,9 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
|
|
|
42
42
|
variant: any;
|
|
43
43
|
objects: any;
|
|
44
44
|
}>;
|
|
45
|
+
emissive: number;
|
|
45
46
|
instanceGranularity: boolean;
|
|
46
|
-
lod: import("../../mol-math/linear-algebra
|
|
47
|
+
lod: import("../../mol-math/linear-algebra").Vec3;
|
|
47
48
|
cellSize: number;
|
|
48
49
|
batchSize: number;
|
|
49
50
|
axesColor: PD.NamedParams<PD.Normalize<{
|
|
@@ -14,30 +14,30 @@ import { MolScriptBuilder as MS } from '../../mol-script/language/builder';
|
|
|
14
14
|
import { compile } from '../../mol-script/runtime/query/compiler';
|
|
15
15
|
import { CustomPropertyDescriptor } from '../../mol-model/custom-property';
|
|
16
16
|
import { Asset } from '../../mol-util/assets';
|
|
17
|
-
const rcsb_symmetry_gql = /* GraphQL */ `
|
|
18
|
-
query AssemblySymmetry($assembly_id: String!, $entry_id: String!) {
|
|
19
|
-
assembly(assembly_id: $assembly_id, entry_id: $entry_id) {
|
|
20
|
-
rcsb_struct_symmetry {
|
|
21
|
-
clusters {
|
|
22
|
-
avg_rmsd
|
|
23
|
-
members {
|
|
24
|
-
asym_id
|
|
25
|
-
pdbx_struct_oper_list_ids
|
|
26
|
-
}
|
|
27
|
-
}
|
|
28
|
-
kind
|
|
29
|
-
oligomeric_state
|
|
30
|
-
rotation_axes {
|
|
31
|
-
order
|
|
32
|
-
start
|
|
33
|
-
end
|
|
34
|
-
}
|
|
35
|
-
stoichiometry
|
|
36
|
-
symbol
|
|
37
|
-
type
|
|
38
|
-
}
|
|
39
|
-
}
|
|
40
|
-
}
|
|
17
|
+
const rcsb_symmetry_gql = /* GraphQL */ `
|
|
18
|
+
query AssemblySymmetry($assembly_id: String!, $entry_id: String!) {
|
|
19
|
+
assembly(assembly_id: $assembly_id, entry_id: $entry_id) {
|
|
20
|
+
rcsb_struct_symmetry {
|
|
21
|
+
clusters {
|
|
22
|
+
avg_rmsd
|
|
23
|
+
members {
|
|
24
|
+
asym_id
|
|
25
|
+
pdbx_struct_oper_list_ids
|
|
26
|
+
}
|
|
27
|
+
}
|
|
28
|
+
kind
|
|
29
|
+
oligomeric_state
|
|
30
|
+
rotation_axes {
|
|
31
|
+
order
|
|
32
|
+
start
|
|
33
|
+
end
|
|
34
|
+
}
|
|
35
|
+
stoichiometry
|
|
36
|
+
symbol
|
|
37
|
+
type
|
|
38
|
+
}
|
|
39
|
+
}
|
|
40
|
+
}
|
|
41
41
|
`;
|
|
42
42
|
const BiologicalAssemblyNames = new Set([
|
|
43
43
|
'author_and_software_defined_assembly',
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2022-
|
|
2
|
+
* Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
6
6
|
import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
|
|
7
|
-
export declare const Backgrounds: import("../../mol-state
|
|
7
|
+
export declare const Backgrounds: import("../../mol-state").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2022-
|
|
2
|
+
* Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -76,6 +76,7 @@ export const Backgrounds = PluginBehavior.create({
|
|
|
76
76
|
saturation: 0,
|
|
77
77
|
opacity: 1,
|
|
78
78
|
blur: 0.3,
|
|
79
|
+
rotation: { x: 0, y: 0, z: 0 },
|
|
79
80
|
}
|
|
80
81
|
}
|
|
81
82
|
}, 'Purple Nebula Skybox'],
|
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
* @author Jiří Černý <jiri.cerny@ibt.cas.cz>
|
|
6
6
|
*/
|
|
7
7
|
import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
|
|
8
|
-
export declare const DnatcoNtCs: import("../../mol-state
|
|
8
|
+
export declare const DnatcoNtCs: import("../../mol-state").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {
|
|
9
9
|
autoAttach: boolean;
|
|
10
10
|
showToolTip: boolean;
|
|
11
11
|
}>;
|
|
@@ -24,23 +24,23 @@ export declare const ConfalPyramidsPreset: StructureRepresentationPresetProvider
|
|
|
24
24
|
representations?: undefined;
|
|
25
25
|
} | {
|
|
26
26
|
components: {
|
|
27
|
-
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state
|
|
27
|
+
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
|
28
28
|
} | {
|
|
29
|
-
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state
|
|
30
|
-
polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state
|
|
29
|
+
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
|
30
|
+
polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
|
31
31
|
} | {
|
|
32
|
-
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state
|
|
33
|
-
all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state
|
|
32
|
+
pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
|
33
|
+
all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
|
34
34
|
branched: undefined;
|
|
35
35
|
};
|
|
36
36
|
representations: {
|
|
37
|
-
pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state
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+
pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
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} | {
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39
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pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state
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40
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polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state
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+
pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
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40
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+
polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>;
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41
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} | {
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42
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pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state
|
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43
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-
all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state
|
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42
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+
pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
|
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43
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+
all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>;
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44
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};
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45
45
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}>;
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46
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export declare function confalPyramidLabel(step: DnatcoTypes.Step): string;
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@@ -41,10 +41,10 @@ export const ConfalPyramidsPreset = StructureRepresentationPresetProvider({
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41
41
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}
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});
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export function confalPyramidLabel(step) {
|
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44
|
-
return `
|
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45
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-
<b>${step.auth_asym_id_1}</b> |
|
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46
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-
<b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
|
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47
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-
${step.label_comp_id_2} ${step.auth_seq_id_2}${step.PDB_ins_code_2}${step.label_alt_id_2.length > 0 ? ` (alt ${step.label_alt_id_2})` : ''} </b><br />
|
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48
|
-
<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
|
|
44
|
+
return `
|
|
45
|
+
<b>${step.auth_asym_id_1}</b> |
|
|
46
|
+
<b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
|
|
47
|
+
${step.label_comp_id_2} ${step.auth_seq_id_2}${step.PDB_ins_code_2}${step.label_alt_id_2.length > 0 ? ` (alt ${step.label_alt_id_2})` : ''} </b><br />
|
|
48
|
+
<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
|
|
49
49
|
`;
|
|
50
50
|
}
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|
@@ -37,6 +37,7 @@ export declare const ConfalPyramidsParams: {
|
|
|
37
37
|
scale: any;
|
|
38
38
|
}>[];
|
|
39
39
|
}>>;
|
|
40
|
+
emissive: PD.Numeric;
|
|
40
41
|
instanceGranularity: PD.BooleanParam;
|
|
41
42
|
lod: PD.Vec3;
|
|
42
43
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cellSize: PD.Numeric;
|
|
@@ -71,6 +72,7 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
|
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|
71
72
|
scale: any;
|
|
72
73
|
}>[];
|
|
73
74
|
}>>;
|
|
75
|
+
emissive: PD.Numeric;
|
|
74
76
|
instanceGranularity: PD.BooleanParam;
|
|
75
77
|
lod: PD.Vec3;
|
|
76
78
|
cellSize: PD.Numeric;
|
|
@@ -106,6 +108,7 @@ export declare const ConfalPyramidsRepresentationProvider: StructureRepresentati
|
|
|
106
108
|
scale: any;
|
|
107
109
|
}>[];
|
|
108
110
|
}>>;
|
|
111
|
+
emissive: PD.Numeric;
|
|
109
112
|
instanceGranularity: PD.BooleanParam;
|
|
110
113
|
lod: PD.Vec3;
|
|
111
114
|
cellSize: PD.Numeric;
|