molstar 4.2.0 → 4.3.0
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 +9 -0
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/mesoscale-explorer/index.html +100 -100
- package/lib/apps/mesoscale-explorer/style.scss +33 -33
- package/lib/apps/viewer/app.d.ts +2 -1
- package/lib/apps/viewer/app.js +2 -1
- 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/cifschema/util/generate.js +12 -12
- package/lib/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/apps/viewer/app.d.ts +2 -1
- package/lib/commonjs/apps/viewer/app.js +1 -0
- 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/cifschema/util/generate.js +12 -12
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- 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/assembly-symmetry/prop.js +24 -24
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +5 -5
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +1 -0
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +0 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +2 -2
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +8 -2
- package/lib/commonjs/extensions/sb-ncbr/index.d.ts +8 -0
- package/lib/commonjs/extensions/sb-ncbr/index.js +14 -1
- package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.d.ts +20 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.js +89 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.d.ts +26 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +474 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.d.ts +40 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +96 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +146 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.js +28 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.d.ts +12 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +54 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.d.ts +19 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +26 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.d.ts +29 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.js +99 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +17 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
- package/lib/commonjs/mol-canvas3d/passes/dof.d.ts +34 -0
- package/lib/commonjs/mol-canvas3d/passes/dof.js +167 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.js +31 -8
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +8 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +8 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-gl/shader/background.frag.js +95 -95
- 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.js +28 -28
- package/lib/commonjs/mol-gl/shader/bloom/composite.frag.js +33 -33
- package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.js +52 -52
- 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.js +77 -77
- 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.js +140 -140
- 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.js +112 -112
- 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.js +16 -16
- 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.js +60 -60
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +122 -122
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +150 -150
- 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.js +266 -266
- 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.js +362 -362
- package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +41 -41
- package/lib/commonjs/mol-gl/shader/dof.frag.d.ts +7 -0
- package/lib/commonjs/mol-gl/shader/dof.frag.js +122 -0
- 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.js +169 -169
- package/lib/commonjs/mol-gl/shader/image.vert.js +21 -21
- package/lib/commonjs/mol-gl/shader/lines.frag.js +42 -42
- 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.js +65 -65
- 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.js +59 -59
- 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
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +148 -148
- package/lib/commonjs/mol-gl/shader/spheres.vert.js +132 -132
- package/lib/commonjs/mol-gl/shader/ssao-blur.frag.js +97 -97
- package/lib/commonjs/mol-gl/shader/ssao.frag.js +211 -211
- package/lib/commonjs/mol-gl/shader/text.frag.js +85 -85
- package/lib/commonjs/mol-gl/shader/text.vert.js +85 -85
- package/lib/commonjs/mol-gl/shader/util/grid3d-template.frag.js +46 -46
- package/lib/commonjs/mol-gl/shader-code.js +15 -15
- package/lib/commonjs/mol-gl/webgl/compat.js +12 -12
- package/lib/commonjs/mol-gl/webgl/context.js +1 -0
- package/lib/commonjs/mol-gl/webgl/timer.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/timer.js +8 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/minimize-rmsd.js +2 -1
- package/lib/commonjs/mol-plugin/animation-loop.d.ts +1 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +6 -6
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +7 -3
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +3 -0
- package/lib/commonjs/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/commonjs/servers/volume/config.js +5 -5
- package/lib/examples/alpha-orbitals/example-data.js +160 -160
- package/lib/examples/alpha-orbitals/index.html +72 -72
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
- package/lib/extensions/assembly-symmetry/prop.js +24 -24
- package/lib/extensions/dnatco/confal-pyramids/behavior.js +5 -5
- package/lib/extensions/dnatco/ntc-tube/behavior.js +5 -5
- package/lib/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/extensions/meshes/mesh-extension.d.ts +1 -0
- package/lib/extensions/mp4-export/encoder.js +1 -1
- package/lib/extensions/mvs/components/annotation-label/representation.d.ts +0 -2
- package/lib/extensions/mvs/components/custom-label/representation.d.ts +2 -2
- package/lib/extensions/mvs/tree/mvs/mvs-builder.d.ts +8 -2
- package/lib/extensions/sb-ncbr/index.d.ts +8 -0
- package/lib/extensions/sb-ncbr/index.js +8 -0
- package/lib/extensions/sb-ncbr/tunnels/actions.d.ts +20 -0
- package/lib/extensions/sb-ncbr/tunnels/actions.js +86 -0
- package/lib/extensions/sb-ncbr/tunnels/algorithm.d.ts +26 -0
- package/lib/extensions/sb-ncbr/tunnels/algorithm.js +469 -0
- package/lib/extensions/sb-ncbr/tunnels/behavior.d.ts +40 -0
- package/lib/extensions/sb-ncbr/tunnels/behavior.js +92 -0
- package/lib/extensions/sb-ncbr/tunnels/data-model.d.ts +146 -0
- package/lib/extensions/sb-ncbr/tunnels/data-model.js +23 -0
- package/lib/extensions/sb-ncbr/tunnels/examples.d.ts +12 -0
- package/lib/extensions/sb-ncbr/tunnels/examples.js +49 -0
- package/lib/extensions/sb-ncbr/tunnels/props.d.ts +19 -0
- package/lib/extensions/sb-ncbr/tunnels/props.js +22 -0
- package/lib/extensions/sb-ncbr/tunnels/representation.d.ts +29 -0
- package/lib/extensions/sb-ncbr/tunnels/representation.js +96 -0
- package/lib/mol-canvas3d/canvas3d.d.ts +17 -0
- package/lib/mol-canvas3d/canvas3d.js +4 -0
- package/lib/mol-canvas3d/passes/dof.d.ts +34 -0
- package/lib/mol-canvas3d/passes/dof.js +163 -0
- package/lib/mol-canvas3d/passes/draw.d.ts +2 -0
- package/lib/mol-canvas3d/passes/draw.js +31 -8
- package/lib/mol-canvas3d/passes/image.d.ts +8 -0
- package/lib/mol-canvas3d/passes/postprocessing.d.ts +8 -0
- package/lib/mol-canvas3d/passes/postprocessing.js +5 -0
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-gl/shader/background.frag.js +95 -95
- package/lib/mol-gl/shader/background.vert.js +11 -11
- package/lib/mol-gl/shader/blend-back-dpoit.frag.js +13 -13
- package/lib/mol-gl/shader/bloom/blur.frag.js +28 -28
- package/lib/mol-gl/shader/bloom/composite.frag.js +33 -33
- package/lib/mol-gl/shader/bloom/luminosity.frag.js +52 -52
- package/lib/mol-gl/shader/cas.frag.js +144 -144
- package/lib/mol-gl/shader/chunks/apply-fog.glsl.js +31 -31
- package/lib/mol-gl/shader/chunks/apply-interior-color.glsl.js +12 -12
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +77 -77
- package/lib/mol-gl/shader/chunks/apply-marker-color.glsl.js +16 -16
- package/lib/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +8 -8
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +140 -140
- package/lib/mol-gl/shader/chunks/assign-group.glsl.js +6 -6
- package/lib/mol-gl/shader/chunks/assign-marker-varying.glsl.js +8 -8
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +112 -112
- package/lib/mol-gl/shader/chunks/assign-position.glsl.js +14 -14
- package/lib/mol-gl/shader/chunks/assign-size.glsl.js +18 -18
- package/lib/mol-gl/shader/chunks/check-picking-alpha.glsl.js +12 -12
- package/lib/mol-gl/shader/chunks/check-transparency.glsl.js +16 -16
- package/lib/mol-gl/shader/chunks/clip-instance.glsl.js +7 -7
- package/lib/mol-gl/shader/chunks/clip-pixel.glsl.js +5 -5
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +60 -60
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +122 -122
- package/lib/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
- package/lib/mol-gl/shader/chunks/common-frag-params.glsl.js +150 -150
- package/lib/mol-gl/shader/chunks/common-vert-params.glsl.js +61 -61
- package/lib/mol-gl/shader/chunks/common.glsl.js +234 -234
- package/lib/mol-gl/shader/chunks/dpoit-write.glsl.js +62 -62
- package/lib/mol-gl/shader/chunks/fade-lod.glsl.js +42 -42
- package/lib/mol-gl/shader/chunks/float-to-rgba.glsl.js +39 -39
- package/lib/mol-gl/shader/chunks/light-frag-params.glsl.js +127 -127
- package/lib/mol-gl/shader/chunks/matrix-scale.glsl.js +5 -5
- package/lib/mol-gl/shader/chunks/normal-frag-params.glsl.js +2 -2
- package/lib/mol-gl/shader/chunks/read-from-texture.glsl.js +14 -14
- package/lib/mol-gl/shader/chunks/rgba-to-float.glsl.js +84 -84
- package/lib/mol-gl/shader/chunks/size-vert-params.glsl.js +11 -11
- package/lib/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +23 -23
- package/lib/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +17 -17
- package/lib/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +8 -8
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +25 -25
- package/lib/mol-gl/shader/compose.frag.js +12 -12
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +23 -23
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +43 -43
- package/lib/mol-gl/shader/compute/color-smoothing/normalize.frag.js +15 -15
- package/lib/mol-gl/shader/copy.frag.js +11 -11
- package/lib/mol-gl/shader/cylinders.frag.js +266 -266
- package/lib/mol-gl/shader/cylinders.vert.js +89 -89
- package/lib/mol-gl/shader/depth-merge.frag.js +23 -23
- package/lib/mol-gl/shader/direct-volume.frag.js +362 -362
- package/lib/mol-gl/shader/direct-volume.vert.js +41 -41
- package/lib/mol-gl/shader/dof.frag.d.ts +7 -0
- package/lib/mol-gl/shader/dof.frag.js +119 -0
- package/lib/mol-gl/shader/evaluate-dpoit.frag.js +10 -10
- package/lib/mol-gl/shader/evaluate-wboit.frag.js +17 -17
- package/lib/mol-gl/shader/fxaa.frag.js +228 -228
- package/lib/mol-gl/shader/gaussian-density.frag.js +49 -49
- package/lib/mol-gl/shader/gaussian-density.vert.js +27 -27
- package/lib/mol-gl/shader/hi-z.frag.js +18 -18
- package/lib/mol-gl/shader/histogram-pyramid/reduction.frag.js +58 -58
- package/lib/mol-gl/shader/histogram-pyramid/sum.frag.js +19 -19
- package/lib/mol-gl/shader/image.frag.js +169 -169
- package/lib/mol-gl/shader/image.vert.js +21 -21
- package/lib/mol-gl/shader/lines.frag.js +42 -42
- package/lib/mol-gl/shader/lines.vert.js +117 -117
- package/lib/mol-gl/shader/marching-cubes/active-voxels.frag.js +70 -70
- package/lib/mol-gl/shader/marching-cubes/isosurface.frag.js +311 -311
- package/lib/mol-gl/shader/marking/edge.frag.js +28 -28
- package/lib/mol-gl/shader/marking/overlay.frag.js +26 -26
- package/lib/mol-gl/shader/mesh.frag.js +65 -65
- package/lib/mol-gl/shader/mesh.vert.js +49 -49
- package/lib/mol-gl/shader/outlines.frag.js +95 -95
- package/lib/mol-gl/shader/points.frag.js +59 -59
- package/lib/mol-gl/shader/points.vert.js +38 -38
- package/lib/mol-gl/shader/postprocessing.frag.js +150 -150
- package/lib/mol-gl/shader/quad.vert.js +10 -10
- package/lib/mol-gl/shader/shadows.frag.js +123 -123
- package/lib/mol-gl/shader/smaa/blend.frag.js +56 -56
- package/lib/mol-gl/shader/smaa/blend.vert.js +25 -25
- package/lib/mol-gl/shader/smaa/edges.frag.js +66 -66
- package/lib/mol-gl/shader/smaa/edges.vert.js +26 -26
- package/lib/mol-gl/shader/smaa/weights.frag.js +206 -206
- package/lib/mol-gl/shader/smaa/weights.vert.js +32 -32
- package/lib/mol-gl/shader/spheres.frag.js +148 -148
- package/lib/mol-gl/shader/spheres.vert.js +132 -132
- package/lib/mol-gl/shader/ssao-blur.frag.js +97 -97
- package/lib/mol-gl/shader/ssao.frag.js +211 -211
- package/lib/mol-gl/shader/text.frag.js +85 -85
- package/lib/mol-gl/shader/text.vert.js +85 -85
- package/lib/mol-gl/shader/util/grid3d-template.frag.js +46 -46
- package/lib/mol-gl/shader-code.js +15 -15
- package/lib/mol-gl/webgl/compat.js +12 -12
- package/lib/mol-gl/webgl/context.js +1 -0
- package/lib/mol-gl/webgl/timer.d.ts +1 -1
- package/lib/mol-gl/webgl/timer.js +8 -1
- package/lib/mol-math/linear-algebra/3d/minimize-rmsd.js +2 -1
- package/lib/mol-plugin/animation-loop.d.ts +1 -0
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +6 -6
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +1 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +3 -3
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/animation/built-in/state-snapshots.js +7 -3
- package/lib/mol-plugin-ui/skin/base/base.scss +37 -37
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +445 -445
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +663 -663
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +194 -194
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +88 -88
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/viewport/simple-settings.js +3 -0
- package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/servers/volume/config.js +5 -5
- package/package.json +196 -195
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@@ -44,11 +44,11 @@ exports.ConfalPyramidsPreset = (0, representation_preset_1.StructureRepresentati
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}
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});
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function confalPyramidLabel(step) {
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return `
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<b>${step.auth_asym_id_1}</b> |
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<b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
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${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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<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
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return `
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<b>${step.auth_asym_id_1}</b> |
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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 ${step.label_alt_id_1})` : ''}
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${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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<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
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`;
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exports.confalPyramidLabel = confalPyramidLabel;
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function NtCTubeSegmentLabel(step) {
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return `
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<b>${step.auth_asym_id_1}</b> |
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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 ${step.label_alt_id_1})` : ''}
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${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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<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
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return `
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<b>${step.auth_asym_id_1}</b> |
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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 ${step.label_alt_id_1})` : ''}
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${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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<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
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`;
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}
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exports.NtCTubeSegmentLabel = NtCTubeSegmentLabel;
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const materialKey = this.materialMap.size;
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this.materialMap.set(hash, materialKey);
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const [r, g, b] = color_1.Color.toRgbNormalized(color).map(v => Math.round(v * 1000) / 1000);
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{
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def Shader "shader"
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{
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uniform token info:id = "UsdPreviewSurface"
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color3f inputs:diffuseColor = (${r},${g},${b})
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float inputs:opacity = ${alpha}
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float inputs:metallic = ${metalness}
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float inputs:roughness = ${roughness}
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token outputs:surface
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}
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}
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this.materials.push(`
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def Material "material${materialKey}"
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{
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token outputs:surface.connect = </material${materialKey}/shader.outputs:surface>
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def Shader "shader"
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{
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uniform token info:id = "UsdPreviewSurface"
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color3f inputs:diffuseColor = (${r},${g},${b})
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float inputs:opacity = ${alpha}
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float inputs:metallic = ${metalness}
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float inputs:roughness = ${roughness}
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token outputs:surface
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}
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}
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`);
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}
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else {
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const geomSubsets = [];
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faceIndicesByMaterial.forEach((faceIndices, materialKey) => {
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geomSubsets.push(`
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{
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uniform token elementType = "face"
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uniform token familyName = "materialBind"
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int[] indices = [${faceIndices.join(',')}]
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rel material:binding = </material${materialKey}>
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}
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geomSubsets.push(`
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def GeomSubset "g${materialKey}"
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{
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uniform token elementType = "face"
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uniform token familyName = "materialBind"
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int[] indices = [${faceIndices.join(',')}]
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rel material:binding = </material${materialKey}>
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}
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`);
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int[] faceVertexCounts = [${new Array(drawCount / 3).fill(3).join(',')}]
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point3f[] points = [${mol_util_1.StringBuilder.getString(vertexBuilder)}]
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normal3f[] primvars:normals = [${mol_util_1.StringBuilder.getString(normalBuilder)}] (
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interpolation = "vertex"
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${materialBinding}
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}
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this.meshes.push(`
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{
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int[] faceVertexCounts = [${new Array(drawCount / 3).fill(3).join(',')}]
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int[] faceVertexIndices = [${mol_util_1.StringBuilder.getString(indexBuilder)}]
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point3f[] points = [${mol_util_1.StringBuilder.getString(vertexBuilder)}]
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normal3f[] primvars:normals = [${mol_util_1.StringBuilder.getString(normalBuilder)}] (
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interpolation = "vertex"
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)
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uniform token subdivisionScheme = "none"
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${materialBinding}
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}
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async getData(ctx) {
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(
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customLayerData = {
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)
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const header = `#usda 1.0
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(
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customLayerData = {
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}
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)
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`;
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type: PluginStateObject.TypeInfo;
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/** Data type for `MeshlistStateObject` - list of meshes */
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label: string;
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/** Data type for `MeshlistStateObject` - list of meshes */
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await plugin.managers.animation.play(params.animation.definition, params.animation.params);
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stoppedAnimation = false;
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for (let i = 0; i <= N; i++) {
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await loop.tick(i * dt, { isSynchronous: true, animation: { currentFrame: i, frameCount: N }, manualDraw: true, updateControls: true });
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@@ -77,7 +77,6 @@ export declare const MVSAnnotationLabelParams: {
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ignoreHydrogensVariant: PD.Select<"all" | "non-polar">;
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includeParent: PD.BooleanParam;
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unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
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fieldName: PD.Text<string>;
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@@ -155,7 +154,6 @@ export declare const MVSAnnotationLabelRepresentationProvider: StructureRepresen
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ignoreHydrogensVariant: PD.Select<"all" | "non-polar">;
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includeParent: PD.BooleanParam;
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unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
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/** Parameter values for representation type "MVS Annotation Label" */
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annotationId: PD.Text<string>;
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fieldName: PD.Text<string>;
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}, "mvs-annotation-label">;
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defaultValue: import("../../../../mol-util/color").Color;
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type: "color";
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isExpanded?: boolean | undefined;
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isOptional?: boolean | undefined;
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isOptional?: boolean | undefined; /** A thingy that is needed to register representation type "Custom Label", allowing user-defined labels at at user-defined positions */
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label?: string | undefined;
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description?: string | undefined;
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legend?: import("../../../../mol-util/legend").Legend | undefined;
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@@ -101,7 +101,7 @@ export declare const CustomLabelRepresentationProvider: StructureRepresentationP
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type: "color";
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isExpanded?: boolean | undefined;
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isOptional?: boolean | undefined; /** A thingy that is needed to register representation type "Custom Label", allowing user-defined labels at at user-defined positions */
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label?: string | undefined;
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description?: string | undefined;
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legend?: import("../../../../mol-util/legend").Legend | undefined;
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@@ -85,7 +85,6 @@ declare class _Base<TKind extends MVSKind> {
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}[]>;
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};
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component_from_uri: {
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/** Add a 'representation' node and return builder pointing to it. 'representation' node instructs to create a visual representation of a component. */
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field_values: import("../generic/params-schema").OptionalField<string[] | null>;
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uri: import("../generic/params-schema").RequiredField<string>;
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format: import("../generic/params-schema").RequiredField<"json" | "cif" | "bcif">;
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@@ -97,6 +96,7 @@ declare class _Base<TKind extends MVSKind> {
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};
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component_from_source: {
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field_values: import("../generic/params-schema").OptionalField<string[] | null>;
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
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@@ -152,6 +152,7 @@ declare class _Base<TKind extends MVSKind> {
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field_name: import("../generic/params-schema").OptionalField<string>;
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};
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color_from_source: {
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
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@@ -171,6 +172,7 @@ declare class _Base<TKind extends MVSKind> {
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field_name: import("../generic/params-schema").OptionalField<string>;
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};
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label_from_source: {
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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}[]>;
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/** Add a 'representation' node and return builder pointing to it. 'representation' node instructs to create a visual representation of a component. */
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field_values: import("../generic/params-schema").OptionalField<string[] | null>;
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uri: import("../generic/params-schema").RequiredField<string>;
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format: import("../generic/params-schema").RequiredField<"json" | "cif" | "bcif">;
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
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@@ -333,6 +336,7 @@ declare class _Base<TKind extends MVSKind> {
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field_name: import("../generic/params-schema").OptionalField<string>;
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};
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color_from_source: {
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
|
|
@@ -352,6 +356,7 @@ declare class _Base<TKind extends MVSKind> {
|
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field_name: import("../generic/params-schema").OptionalField<string>;
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};
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label_from_source: {
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
|
|
@@ -371,6 +376,7 @@ declare class _Base<TKind extends MVSKind> {
|
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field_name: import("../generic/params-schema").OptionalField<string>;
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};
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tooltip_from_source: {
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/** Add a 'camera' node and return builder pointing to the root. 'camera' node instructs to set the camera position and orientation. */
|
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schema: import("../generic/params-schema").RequiredField<"atom" | "residue" | "entity" | "chain" | "whole_structure" | "auth_chain" | "auth_residue" | "residue_range" | "auth_residue_range" | "auth_atom" | "all_atomic">;
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block_header: import("../generic/params-schema").OptionalField<string | null>;
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block_index: import("../generic/params-schema").OptionalField<number>;
|
|
@@ -1,3 +1,11 @@
|
|
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1
|
+
/**
|
|
2
|
+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author Dominik Tichý <tichydominik451@gmail.com>
|
|
5
|
+
* @author Dušan Veľký <dvelky@mail.muni.cz>
|
|
6
|
+
*/
|
|
1
7
|
export { SbNcbrPartialCharges } from './partial-charges/behavior';
|
|
2
8
|
export { SbNcbrPartialChargesPreset } from './partial-charges/preset';
|
|
3
9
|
export { SbNcbrPartialChargesPropertyProvider } from './partial-charges/property';
|
|
10
|
+
export { SbNcbrTunnels } from './tunnels/behavior';
|
|
11
|
+
export { TunnelsFromRawData, SelectTunnel, TunnelFromRawData, TunnelShapeProvider } from './tunnels/representation';
|
|
@@ -1,9 +1,22 @@
|
|
|
1
1
|
"use strict";
|
|
2
|
+
/**
|
|
3
|
+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
+
*
|
|
5
|
+
* @author Dominik Tichý <tichydominik451@gmail.com>
|
|
6
|
+
* @author Dušan Veľký <dvelky@mail.muni.cz>
|
|
7
|
+
*/
|
|
2
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
-
exports.SbNcbrPartialChargesPropertyProvider = exports.SbNcbrPartialChargesPreset = exports.SbNcbrPartialCharges = void 0;
|
|
9
|
+
exports.TunnelShapeProvider = exports.TunnelFromRawData = exports.SelectTunnel = exports.TunnelsFromRawData = exports.SbNcbrTunnels = exports.SbNcbrPartialChargesPropertyProvider = exports.SbNcbrPartialChargesPreset = exports.SbNcbrPartialCharges = void 0;
|
|
4
10
|
var behavior_1 = require("./partial-charges/behavior");
|
|
5
11
|
Object.defineProperty(exports, "SbNcbrPartialCharges", { enumerable: true, get: function () { return behavior_1.SbNcbrPartialCharges; } });
|
|
6
12
|
var preset_1 = require("./partial-charges/preset");
|
|
7
13
|
Object.defineProperty(exports, "SbNcbrPartialChargesPreset", { enumerable: true, get: function () { return preset_1.SbNcbrPartialChargesPreset; } });
|
|
8
14
|
var property_1 = require("./partial-charges/property");
|
|
9
15
|
Object.defineProperty(exports, "SbNcbrPartialChargesPropertyProvider", { enumerable: true, get: function () { return property_1.SbNcbrPartialChargesPropertyProvider; } });
|
|
16
|
+
var behavior_2 = require("./tunnels/behavior");
|
|
17
|
+
Object.defineProperty(exports, "SbNcbrTunnels", { enumerable: true, get: function () { return behavior_2.SbNcbrTunnels; } });
|
|
18
|
+
var representation_1 = require("./tunnels/representation");
|
|
19
|
+
Object.defineProperty(exports, "TunnelsFromRawData", { enumerable: true, get: function () { return representation_1.TunnelsFromRawData; } });
|
|
20
|
+
Object.defineProperty(exports, "SelectTunnel", { enumerable: true, get: function () { return representation_1.SelectTunnel; } });
|
|
21
|
+
Object.defineProperty(exports, "TunnelFromRawData", { enumerable: true, get: function () { return representation_1.TunnelFromRawData; } });
|
|
22
|
+
Object.defineProperty(exports, "TunnelShapeProvider", { enumerable: true, get: function () { return representation_1.TunnelShapeProvider; } });
|
|
@@ -0,0 +1,20 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author Dušan Veľký <dvelky@mail.muni.cz>
|
|
5
|
+
*/
|
|
6
|
+
import { PluginStateObject } from '../../../mol-plugin-state/objects';
|
|
7
|
+
import { StateAction } from '../../../mol-state';
|
|
8
|
+
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
|
|
9
|
+
export declare const TunnelDownloadServer: {
|
|
10
|
+
channelsdb: PD.Group<PD.Normalize<unknown>>;
|
|
11
|
+
};
|
|
12
|
+
export declare const DownloadTunnels: StateAction<PluginStateObject.Root, void, PD.Normalize<{
|
|
13
|
+
source: PD.NamedParams<PD.Normalize<{
|
|
14
|
+
url: any;
|
|
15
|
+
}>, "url"> | PD.NamedParams<PD.Normalize<{
|
|
16
|
+
provider: any;
|
|
17
|
+
}>, "alphafolddb"> | PD.NamedParams<PD.Normalize<{
|
|
18
|
+
provider: any;
|
|
19
|
+
}>, "pdb">;
|
|
20
|
+
}>>;
|
|
@@ -0,0 +1,89 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
/**
|
|
3
|
+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
+
*
|
|
5
|
+
* @author Dušan Veľký <dvelky@mail.muni.cz>
|
|
6
|
+
*/
|
|
7
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
+
exports.DownloadTunnels = exports.TunnelDownloadServer = void 0;
|
|
9
|
+
const objects_1 = require("../../../mol-plugin-state/objects");
|
|
10
|
+
const transforms_1 = require("../../../mol-plugin-state/transforms");
|
|
11
|
+
const mol_state_1 = require("../../../mol-state");
|
|
12
|
+
const mol_task_1 = require("../../../mol-task");
|
|
13
|
+
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
14
|
+
const type_helpers_1 = require("../../../mol-util/type-helpers");
|
|
15
|
+
const props_1 = require("./props");
|
|
16
|
+
const representation_1 = require("./representation");
|
|
17
|
+
exports.TunnelDownloadServer = {
|
|
18
|
+
'channelsdb': param_definition_1.ParamDefinition.EmptyGroup({ label: 'ChannelsDB' })
|
|
19
|
+
};
|
|
20
|
+
exports.DownloadTunnels = mol_state_1.StateAction.build({
|
|
21
|
+
display: { name: 'Download Tunnels', description: 'Load a tunnels from the provided source and create theirs representations' },
|
|
22
|
+
from: objects_1.PluginStateObject.Root,
|
|
23
|
+
params: (_, plugin) => {
|
|
24
|
+
return {
|
|
25
|
+
source: param_definition_1.ParamDefinition.MappedStatic('pdb', {
|
|
26
|
+
'pdb': param_definition_1.ParamDefinition.Group({
|
|
27
|
+
provider: param_definition_1.ParamDefinition.Group({
|
|
28
|
+
id: param_definition_1.ParamDefinition.Text('1tqn', { label: 'PDB Id(s)', description: 'One or more comma/space separated PDB ids.' }),
|
|
29
|
+
server: param_definition_1.ParamDefinition.MappedStatic('channelsdb', exports.TunnelDownloadServer),
|
|
30
|
+
}, { pivot: 'id' }),
|
|
31
|
+
}, { isFlat: true, label: 'PDB' }),
|
|
32
|
+
'alphafolddb': param_definition_1.ParamDefinition.Group({
|
|
33
|
+
provider: param_definition_1.ParamDefinition.Group({
|
|
34
|
+
id: param_definition_1.ParamDefinition.Text('Q8W3K0', { label: 'UniProtKB AC(s)', description: 'One or more comma/space separated ACs.' }),
|
|
35
|
+
server: param_definition_1.ParamDefinition.MappedStatic('channelsdb', exports.TunnelDownloadServer),
|
|
36
|
+
}, { pivot: 'id' })
|
|
37
|
+
}, { isFlat: true, label: 'AlphaFold DB', description: 'Loads the predicted model if available' }),
|
|
38
|
+
'url': param_definition_1.ParamDefinition.Group({
|
|
39
|
+
url: param_definition_1.ParamDefinition.Url(''),
|
|
40
|
+
}, { isFlat: true, label: 'URL' })
|
|
41
|
+
})
|
|
42
|
+
};
|
|
43
|
+
}
|
|
44
|
+
})(({ params, state }, plugin) => mol_task_1.Task.create('Download Tunnels', async (ctx) => {
|
|
45
|
+
plugin.behaviors.layout.leftPanelTabName.next('data');
|
|
46
|
+
const src = params.source;
|
|
47
|
+
let downloadParams;
|
|
48
|
+
switch (src.name) {
|
|
49
|
+
case 'url':
|
|
50
|
+
downloadParams = [{ url: src.params.url }];
|
|
51
|
+
break;
|
|
52
|
+
case 'pdb':
|
|
53
|
+
downloadParams = src.params.provider.server.name === 'channelsdb'
|
|
54
|
+
? [{ url: `${plugin === null || plugin === void 0 ? void 0 : plugin.config.get(props_1.TunnelsServerConfig.DefaultServerUrl)}/channels/pdb/${src.params.provider.id}` }]
|
|
55
|
+
: (0, type_helpers_1.assertUnreachable)(src);
|
|
56
|
+
break;
|
|
57
|
+
case 'alphafolddb':
|
|
58
|
+
downloadParams = src.params.provider.server.name === 'channelsdb'
|
|
59
|
+
? [{ url: `${plugin === null || plugin === void 0 ? void 0 : plugin.config.get(props_1.TunnelsServerConfig.DefaultServerUrl)}/channels/alphafill/${src.params.provider.id.toLowerCase()}` }]
|
|
60
|
+
: (0, type_helpers_1.assertUnreachable)(src);
|
|
61
|
+
break;
|
|
62
|
+
default: (0, type_helpers_1.assertUnreachable)(src);
|
|
63
|
+
}
|
|
64
|
+
await state.transaction(async () => {
|
|
65
|
+
var _a;
|
|
66
|
+
const update = plugin.build();
|
|
67
|
+
const webgl = (_a = plugin.canvas3dContext) === null || _a === void 0 ? void 0 : _a.webgl;
|
|
68
|
+
for (const download of downloadParams) {
|
|
69
|
+
const response = await (await fetch(download.url.toString())).json();
|
|
70
|
+
const tunnels = [];
|
|
71
|
+
Object.entries(response.Channels).forEach(([key, values]) => {
|
|
72
|
+
if (values.length > 0) {
|
|
73
|
+
values.forEach((item) => {
|
|
74
|
+
tunnels.push({ data: item.Profile, props: { id: item.Id, type: item.Type } });
|
|
75
|
+
});
|
|
76
|
+
}
|
|
77
|
+
});
|
|
78
|
+
update
|
|
79
|
+
.toRoot()
|
|
80
|
+
.apply(representation_1.TunnelsFromRawData, { data: tunnels })
|
|
81
|
+
.apply(representation_1.SelectTunnel)
|
|
82
|
+
.apply(representation_1.TunnelShapeProvider, {
|
|
83
|
+
webgl,
|
|
84
|
+
})
|
|
85
|
+
.apply(transforms_1.StateTransforms.Representation.ShapeRepresentation3D);
|
|
86
|
+
await update.commit();
|
|
87
|
+
}
|
|
88
|
+
}).runInContext(ctx);
|
|
89
|
+
}));
|
|
@@ -0,0 +1,26 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author Dušan Veľký <dvelky@mail.muni.cz>
|
|
5
|
+
*/
|
|
6
|
+
import { Mesh } from '../../../mol-geo/geometry/mesh/mesh';
|
|
7
|
+
import { WebGLContext } from '../../../mol-gl/webgl/context';
|
|
8
|
+
import { Shape } from '../../../mol-model/shape';
|
|
9
|
+
import { Color } from '../../../mol-util/color';
|
|
10
|
+
import { Tunnel } from './data-model';
|
|
11
|
+
export declare function createSpheresShape(options: {
|
|
12
|
+
tunnel: Tunnel;
|
|
13
|
+
color: Color;
|
|
14
|
+
resolution: number;
|
|
15
|
+
sampleRate: number;
|
|
16
|
+
showRadii: boolean;
|
|
17
|
+
prev?: Shape<Mesh>;
|
|
18
|
+
}): Promise<Shape<Mesh>>;
|
|
19
|
+
export declare function createTunnelShape(options: {
|
|
20
|
+
tunnel: Tunnel;
|
|
21
|
+
color: Color;
|
|
22
|
+
resolution: number;
|
|
23
|
+
sampleRate: number;
|
|
24
|
+
webgl: WebGLContext | undefined;
|
|
25
|
+
prev?: Shape<Mesh>;
|
|
26
|
+
}): Promise<Shape<Mesh>>;
|