molstar 2.3.8 → 3.0.0-dev.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/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/apps/docking-viewer/viewport.js +14 -14
- package/lib/apps/docking-viewer/viewport.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.js +14 -14
- package/lib/commonjs/apps/docking-viewer/viewport.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +20 -0
- package/lib/commonjs/extensions/cellpack/representation.d.ts +4 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +12 -0
- package/lib/commonjs/extensions/geo-export/controls.js +16 -18
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +5 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +49 -27
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +87 -15
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +24 -15
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/ui.js +24 -20
- package/lib/commonjs/extensions/geo-export/ui.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +3 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +39 -30
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
- package/lib/commonjs/extensions/mp4-export/ui.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +3 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +4 -0
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +22 -21
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +20 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +22 -18
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- 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/draw.js +3 -11
- package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/base.d.ts +24 -3
- package/lib/commonjs/mol-geo/geometry/base.js +51 -6
- package/lib/commonjs/mol-geo/geometry/base.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +18 -8
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +10 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +188 -35
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +4 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/substance-data.d.ts +23 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js.map +1 -0
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +4 -0
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +8 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +194 -27
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +7 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +4 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +2 -2
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
- package/lib/commonjs/mol-gl/compute/util.js +76 -21
- package/lib/commonjs/mol-gl/compute/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/points.js +1 -2
- package/lib/commonjs/mol-gl/renderable/points.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +40 -5
- package/lib/commonjs/mol-gl/renderable/schema.js +23 -11
- package/lib/commonjs/mol-gl/renderable/schema.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +18 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +32 -13
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +1 -1
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +9 -15
- package/lib/commonjs/mol-gl/renderer.js +56 -61
- package/lib/commonjs/mol-gl/renderer.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +0 -1
- package/lib/commonjs/mol-gl/shader-code.js +31 -13
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js +2 -4
- package/lib/commonjs/mol-gl/webgl/extensions.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -4
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/vertex-array.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js.map +1 -1
- package/lib/commonjs/mol-io/reader/_spec/sdf.spec.js +51 -0
- package/lib/commonjs/mol-io/reader/_spec/sdf.spec.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +9 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +91 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js.map +1 -0
- package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser.js +12 -4
- package/lib/commonjs/mol-io/reader/sdf/parser.js.map +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +6 -0
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +9 -0
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js.map +1 -1
- package/lib/commonjs/mol-model/loci.d.ts +18 -18
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/properties.js.map +1 -1
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +8 -0
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +1 -7
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js.map +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +4 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +4 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +12 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +16 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +5 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +4 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js.map +1 -1
- package/lib/commonjs/mol-plugin/commands.d.ts +11 -9
- package/lib/commonjs/mol-plugin/spec.js +1 -0
- package/lib/commonjs/mol-plugin/spec.js.map +1 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/commonjs/mol-plugin-state/actions/file.js +4 -2
- package/lib/commonjs/mol-plugin-state/actions/file.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +4 -4
- package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -0
- package/lib/commonjs/mol-plugin-state/formats/volume.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +14 -3
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.d.ts +13 -0
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +126 -0
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js.map +1 -0
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +2 -1
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +9 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +44 -22
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +31 -4
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +160 -15
- package/lib/commonjs/mol-plugin-state/transforms/representation.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/state/common.js +10 -9
- package/lib/commonjs/mol-plugin-ui/state/common.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +10 -8
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +2 -1
- package/lib/commonjs/mol-plugin-ui/structure/selection.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +2 -5
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js.map +1 -1
- package/lib/commonjs/mol-repr/representation.d.ts +12 -0
- package/lib/commonjs/mol-repr/representation.js +50 -5
- package/lib/commonjs/mol-repr/representation.js.map +1 -1
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/loci/label.d.ts +5 -1
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +4 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +4 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +4 -0
- package/lib/commonjs/mol-repr/shape/representation.js +8 -0
- package/lib/commonjs/mol-repr/shape/representation.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/complex-representation.js +17 -4
- package/lib/commonjs/mol-repr/structure/complex-representation.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +25 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.js +15 -5
- package/lib/commonjs/mol-repr/structure/complex-visual.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/params.d.ts +33 -1
- package/lib/commonjs/mol-repr/structure/registry.d.ts +61 -5
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/label.d.ts +15 -3
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/point.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +12 -0
- package/lib/commonjs/mol-repr/structure/units-representation.js +23 -17
- package/lib/commonjs/mol-repr/structure/units-representation.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +33 -1
- package/lib/commonjs/mol-repr/structure/units-visual.js +15 -5
- package/lib/commonjs/mol-repr/structure/units-visual.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +8 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +8 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +4 -0
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- package/lib/mol-repr/shape/loci/label.d.ts +6 -2
- package/lib/mol-repr/shape/loci/orientation.d.ts +5 -1
- package/lib/mol-repr/shape/loci/plane.d.ts +5 -1
- package/lib/mol-repr/shape/model/unitcell.d.ts +5 -1
- package/lib/mol-repr/shape/representation.js +8 -0
- package/lib/mol-repr/shape/representation.js.map +1 -1
- package/lib/mol-repr/structure/complex-representation.js +17 -4
- package/lib/mol-repr/structure/complex-representation.js.map +1 -1
- package/lib/mol-repr/structure/complex-visual.d.ts +31 -7
- package/lib/mol-repr/structure/complex-visual.js +15 -5
- package/lib/mol-repr/structure/complex-visual.js.map +1 -1
- package/lib/mol-repr/structure/params.d.ts +42 -10
- package/lib/mol-repr/structure/registry.d.ts +81 -25
- package/lib/mol-repr/structure/representation/backbone.d.ts +15 -3
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +18 -6
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +15 -3
- package/lib/mol-repr/structure/representation/cartoon.d.ts +15 -3
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +18 -6
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +21 -9
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +15 -3
- package/lib/mol-repr/structure/representation/label.d.ts +21 -9
- package/lib/mol-repr/structure/representation/line.d.ts +21 -9
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +21 -9
- package/lib/mol-repr/structure/representation/orientation.d.ts +15 -3
- package/lib/mol-repr/structure/representation/point.d.ts +18 -6
- package/lib/mol-repr/structure/representation/putty.d.ts +15 -3
- package/lib/mol-repr/structure/representation/spacefill.d.ts +15 -3
- package/lib/mol-repr/structure/units-representation.js +23 -17
- package/lib/mol-repr/structure/units-representation.js.map +1 -1
- package/lib/mol-repr/structure/units-visual.d.ts +42 -10
- package/lib/mol-repr/structure/units-visual.js +15 -5
- package/lib/mol-repr/structure/units-visual.js.map +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +12 -4
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +6 -2
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +12 -4
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +6 -2
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +5 -1
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +5 -1
- package/lib/mol-repr/structure/visual/element-cross.d.ts +5 -1
- package/lib/mol-repr/structure/visual/element-point.d.ts +6 -2
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +10 -2
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +10 -2
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +28 -12
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -7
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js.map +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +5 -1
- package/lib/mol-repr/structure/visual/label-text.d.ts +7 -3
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +7 -3
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +3 -2
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js.map +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +5 -1
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +10 -2
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +10 -2
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +5 -1
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +5 -1
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/util/bond.d.ts +6 -6
- package/lib/mol-repr/visual.d.ts +24 -13
- package/lib/mol-repr/visual.js +106 -8
- package/lib/mol-repr/visual.js.map +1 -1
- package/lib/mol-repr/volume/direct-volume.d.ts +18 -6
- package/lib/mol-repr/volume/isosurface.d.ts +36 -12
- package/lib/mol-repr/volume/registry.d.ts +19 -7
- package/lib/mol-repr/volume/representation.d.ts +6 -2
- package/lib/mol-repr/volume/representation.js +15 -3
- package/lib/mol-repr/volume/representation.js.map +1 -1
- package/lib/mol-repr/volume/slice.d.ts +21 -9
- package/lib/mol-state/state.js +7 -5
- package/lib/mol-state/state.js.map +1 -1
- package/lib/mol-task/execution/observable.js +1 -5
- package/lib/mol-task/execution/observable.js.map +1 -1
- package/lib/mol-theme/overpaint.js +1 -1
- package/lib/mol-theme/overpaint.js.map +1 -1
- package/lib/mol-theme/substance.d.ts +43 -0
- package/lib/mol-theme/substance.js +128 -0
- package/lib/mol-theme/substance.js.map +1 -0
- package/lib/mol-util/color/names.d.ts +1 -1
- package/lib/mol-util/material.d.ts +32 -0
- package/lib/mol-util/material.js +47 -0
- package/lib/mol-util/material.js.map +1 -0
- package/lib/mol-util/number.d.ts +1 -0
- package/lib/mol-util/number.js +3 -0
- package/lib/mol-util/number.js.map +1 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +26 -26
- package/lib/commonjs/mol-repr/structure/visual/util/color.d.ts +0 -24
- package/lib/commonjs/mol-repr/structure/visual/util/color.js +0 -100
- package/lib/commonjs/mol-repr/structure/visual/util/color.js.map +0 -1
- package/lib/mol-gl/_spec/shader.spec.d.ts +0 -0
- package/lib/mol-gl/_spec/shader.spec.js +0 -2
- package/lib/mol-gl/_spec/shader.spec.js.map +0 -1
- package/lib/mol-repr/structure/visual/orientation-axes-mesh.d.ts +0 -35
- package/lib/mol-repr/structure/visual/orientation-axes-mesh.js +0 -43
- package/lib/mol-repr/structure/visual/orientation-axes-mesh.js.map +0 -1
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.d.ts +0 -31
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.js +0 -48
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.js.map +0 -1
- package/lib/mol-repr/structure/visual/util/color.d.ts +0 -24
- package/lib/mol-repr/structure/visual/util/color.js +0 -94
- package/lib/mol-repr/structure/visual/util/color.js.map +0 -1
- package/lib/mol-repr/structure/visual/util/orientation.d.ts +0 -17
- package/lib/mol-repr/structure/visual/util/orientation.js +0 -71
- package/lib/mol-repr/structure/visual/util/orientation.js.map +0 -1
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@@ -9,7 +9,7 @@ import { StructureRef } from '../../mol-plugin-state/manager/structure/hierarchy
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import { PluginUIComponent } from '../../mol-plugin-ui/base';
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export declare const StructurePreset: StructureRepresentationPresetProvider<{
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ignoreHydrogens: boolean | undefined;
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quality: "
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
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theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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globalName: any;
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carbonColor: any;
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}>;
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export declare const IllustrativePreset: StructureRepresentationPresetProvider<{
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quality: "
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
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theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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import { Color } from '../../mol-util/color';
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function shinyStyle(plugin) {
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renderer: __assign(
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_b);
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_a = StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _a.update, builder = _a.builder, typeParams = _a.typeParams;
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representations = {
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { sizeFactor: 0.35 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: __assign({}, typeParams), color: 'chain-id', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, sizeFactor: 0.35 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2 }), color: 'chain-id', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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_a = StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _a.update, builder = _a.builder, typeParams = _a.typeParams;
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'spacefill', typeParams: __assign({}, typeParams), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'spacefill', typeParams: __assign({}, typeParams), color: 'illustrative', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'spacefill', typeParams: __assign(__assign({}, typeParams), { ignoreLight: true }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'spacefill', typeParams: __assign(__assign({}, typeParams), { ignoreLight: true }), color: 'illustrative', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'molecular-surface', typeParams: __assign(__assign({}, typeParams), { quality: 'custom', resolution: 0.5, doubleSided: true }), color: 'partial-charge' }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'molecular-surface', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, quality: 'custom', resolution: 0.5, doubleSided: true }), color: 'partial-charge' }, { tag: 'polymer' }),
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_b = StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _b.update, builder = _b.builder, typeParams = _b.typeParams;
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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surroundings: builder.buildRepresentation(update, components.surroundings, { type: 'molecular-surface', typeParams: __assign(__assign({}, typeParams), { includeParent: true, quality: 'custom', resolution: 0.2, doubleSided: true }), color: 'partial-charge' }, { tag: 'surroundings' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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surroundings: builder.buildRepresentation(update, components.surroundings, { type: 'molecular-surface', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, includeParent: true, quality: 'custom', resolution: 0.2, doubleSided: true }), color: 'partial-charge' }, { tag: 'surroundings' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { sizeFactor: 0.3 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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ballAndStick: builder.buildRepresentation(update, components.surroundings, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { sizeFactor: 0.1, sizeAspectRatio: 1 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ball-and-stick' }),
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interactions: builder.buildRepresentation(update, components.interactions, { type: InteractionsRepresentationProvider, typeParams: __assign({}, typeParams), color: InteractionTypeColorThemeProvider }, { tag: 'interactions' }),
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label: builder.buildRepresentation(update, components.surroundings, { type: 'label', typeParams: __assign(__assign({}, typeParams), { background: false, borderWidth: 0.1 }), color: 'uniform', colorParams: { value: Color(0x000000) } }, { tag: 'label' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, sizeFactor: 0.3 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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ballAndStick: builder.buildRepresentation(update, components.surroundings, { type: 'ball-and-stick', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, sizeFactor: 0.1, sizeAspectRatio: 1 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ball-and-stick' }),
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interactions: builder.buildRepresentation(update, components.interactions, { type: InteractionsRepresentationProvider, typeParams: __assign(__assign({}, typeParams), { roughness: 0.2 }), color: InteractionTypeColorThemeProvider }, { tag: 'interactions' }),
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label: builder.buildRepresentation(update, components.surroundings, { type: 'label', typeParams: __assign(__assign({}, typeParams), { roughness: 0.2, background: false, borderWidth: 0.1 }), color: 'uniform', colorParams: { value: Color(0x000000) } }, { tag: 'label' }),
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};
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case 4:
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@@ -1 +1 @@
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1
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+
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EAAE,EAAE,IAAI,EAAE,kCAAkC,EAAE,UAAU,wBAAO,UAAU,KAAE,SAAS,EAAE,GAAG,GAAE,EAAE,KAAK,EAAE,iCAAiC,EAAE,EAAE,EAAE,GAAG,EAAE,cAAc,EAAE,CAAC;4BAC1O,KAAK,EAAE,OAAO,CAAC,mBAAmB,CAAC,MAAM,EAAE,UAAU,CAAC,YAAY,EAAE,EAAE,IAAI,EAAE,OAAO,EAAE,UAAU,wBAAO,UAAU,KAAE,SAAS,EAAE,GAAG,EAAE,UAAU,EAAE,KAAK,EAAE,WAAW,EAAE,GAAG,GAAE,EAAE,KAAK,EAAE,SAAS,EAAE,WAAW,EAAE,EAAE,KAAK,EAAE,KAAK,CAAC,QAAQ,CAAC,EAAE,EAAE,EAAE,EAAE,GAAG,EAAE,OAAO,EAAE,CAAC;yBAC1P,CAAC;wBAEF,qBAAM,MAAM,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,EAAA;;wBAA5C,SAA4C,CAAC;wBAC7C,qBAAM,UAAU,CAAC,MAAM,CAAC,EAAA;;wBAAxB,SAAwB,CAAC;wBACzB,MAAM,CAAC,QAAQ,CAAC,aAAa,CAAC,QAAQ,CAAC,EAAE,WAAW,EAAE,SAAS,EAAE,CAAC,CAAC;wBAEnE,sBAAO,EAAE,UAAU,YAAA,EAAE,eAAe,iBAAA,EAAE,EAAC;;;;KAC1C;CACJ,CAAC,CAAC;AAEH,MAAM,CAAC,IAAM,WAAW,GAAG,YAAY,CAAC,IAAI,CAAC,aAAa,EAAE,IAAI,CAAC,CAAC;AAElE;IAAuC,qCAAiB;IAAxD;QAAA,qEAkDC;QA5CG,SAAG,GAAG,UAAO,MAA6C;;;4BACtD,qBAAM,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,SAAS,CAAC,SAAS,CAAC,UAAU,EAAE,MAAM,CAAC,EAAA;;wBAAtF,SAAsF,CAAC;;;;aAC1F,CAAA;QAED,qBAAe,GAAG,cAAM,OAAA,KAAI,CAAC,GAAG,CAAC,eAAe,CAAC,EAAzB,CAAyB,CAAC;QAClD,wBAAkB,GAAG,cAAM,OAAA,KAAI,CAAC,GAAG,CAAC,kBAAkB,CAAC,EAA5B,CAA4B,CAAC;QACxD,mBAAa,GAAG,cAAM,OAAA,KAAI,CAAC,GAAG,CAAC,aAAa,CAAC,EAAvB,CAAuB,CAAC;QAC9C,kBAAY,GAAG,cAAM,OAAA,KAAI,CAAC,GAAG,CAAC,YAAY,CAAC,EAAtB,CAAsB,CAAC;QAC5C,wBAAkB,GAAG,cAAM,OAAA,KAAI,CAAC,GAAG,CAAC,kBAAkB,CAAC,EAA5B,CAA4B,CAAC;;IAoC5D,CAAC;IAjDS,gCAAI,GAAV,UAAW,UAAmC,EAAE,MAA6C;;;;4BACzF,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,SAAS,CAAC,KAAK,CAAC,UAAU,CAAC,EAAA;;wBAAhE,SAAgE,CAAC;wBACjE,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,SAAS,CAAC,WAAW,CAAC,UAAU,EAAE,MAAM,CAAC,EAAA;;wBAA9E,SAA8E,CAAC;;;;;KAClF;IAYD,sBAAI,0CAAW;aAAf;YACI,OAAO,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC;QAC/C,CAAC;;;OAAA;IAED,kCAAM,GAAN;;QACI,IAAM,UAAU,GAAG,CAAA,MAAA,MAAA,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,UAAU,0CAAE,QAAQ,0CAAE,QAAQ,KAAI,gBAAgB,CAAC;QAEvF,OAAO,8BACH,KAAC,QAAQ,aAAG,EACX,IAAI,CAAC,WAAW,IAAI,wBAAK,SAAS,EAAC,gCAAgC,iBAChE,uBAAK,KAAK,EAAE,EAAE,YAAY,EAAE,KAAK,EAAE,gBAC/B,KAAC,MAAM,aAAC,OAAO,EAAE,IAAI,CAAC,eAAe,uCAAqB,YACxD,EACN,uBAAK,KAAK,EAAE,EAAE,YAAY,EAAE,KAAK,EAAE,gBAC/B,KAAC,MAAM,aAAC,OAAO,EAAE,IAAI,CAAC,kBAAkB,0CAAuB,YAC7D,EACN,uBAAK,KAAK,EAAE,EAAE,YAAY,EAAE,KAAK,EAAE,gBAC/B,KAAC,MAAM,aAAC,OAAO,EAAE,IAAI,CAAC,aAAa,qCAAkB,YACnD,EAIN,uBAAK,KAAK,EAAE,EAAE,YAAY,EAAE,KAAK,EAAE,gBAC/B,KAAC,MAAM,aAAC,OAAO,EAAE,IAAI,CAAC,kBAAkB,0CAAuB,YAC7D,aACJ,EACN,KAAC,UAAU,aAAG,EACd,KAAC,sBAAsB,aAAG,EAC1B,wBAAK,SAAS,EAAC,6BAA6B,iBACxC,KAAC,UAAU,aAAG,EACd,KAAC,MAAM,aAAG,aACR,YACP,CAAC;IACR,CAAC;IACL,wBAAC;AAAD,CAAC,AAlDD,CAAuC,iBAAiB,GAkDvD"}
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@@ -16,7 +16,7 @@ export declare function readCCD(): Promise<import("../../mol-data/db").DatabaseC
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name: import("../../mol-data/db/column").Column.Schema.Str;
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one_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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three_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking"
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
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pdbx_synonyms: import("../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_type: import("../../mol-data/db/column").Column.Schema.Str;
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pdbx_ambiguous_flag: import("../../mol-data/db/column").Column.Schema.Str;
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@@ -57,7 +57,7 @@ export declare function readCCD(): Promise<import("../../mol-data/db").DatabaseC
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comp_id: import("../../mol-data/db/column").Column.Schema.Str;
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value_order: import("../../mol-data/db/column").Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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pdbx_ordinal: import("../../mol-data/db/column").Column.Schema.Int;
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "E" | "Z">;
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pdbx_aromatic_flag: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "Y">;
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};
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pdbx_chem_comp_descriptor: {
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@@ -84,7 +84,7 @@ export declare function readPVCD(): Promise<import("../../mol-data/db").Database
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name: import("../../mol-data/db/column").Column.Schema.Str;
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one_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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three_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking"
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
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pdbx_synonyms: import("../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_type: import("../../mol-data/db/column").Column.Schema.Str;
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pdbx_ambiguous_flag: import("../../mol-data/db/column").Column.Schema.Str;
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@@ -125,7 +125,7 @@ export declare function readPVCD(): Promise<import("../../mol-data/db").Database
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comp_id: import("../../mol-data/db/column").Column.Schema.Str;
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value_order: import("../../mol-data/db/column").Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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pdbx_ordinal: import("../../mol-data/db/column").Column.Schema.Int;
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "E" | "Z">;
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pdbx_aromatic_flag: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "Y">;
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};
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pdbx_chem_comp_descriptor: {
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@@ -80,6 +80,7 @@ export function getFieldType(type, description, values, container) {
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case 'DateTime':
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case 'Tag':
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case 'Implied':
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case 'Word':
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return wrapContainer('str', ',', description, container);
|
|
84
85
|
case 'Real':
|
|
85
86
|
return wrapContainer('float', ',', description, container);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -25,13 +25,13 @@ var mol_state_1 = require("../../mol-state");
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var color_1 = require("../../mol-util/color");
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function shinyStyle(plugin) {
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return commands_1.PluginCommands.Canvas3D.SetSettings(plugin, { settings: {
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28
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-
renderer: (0, tslib_1.__assign)(
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+
renderer: (0, tslib_1.__assign)({}, plugin.canvas3d.props.renderer),
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postprocessing: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, plugin.canvas3d.props.postprocessing), { occlusion: { name: 'off', params: {} }, outline: { name: 'off', params: {} } })
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} });
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}
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function occlusionStyle(plugin) {
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return commands_1.PluginCommands.Canvas3D.SetSettings(plugin, { settings: {
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34
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-
renderer: (0, tslib_1.__assign)(
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+
renderer: (0, tslib_1.__assign)({}, plugin.canvas3d.props.renderer),
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postprocessing: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, plugin.canvas3d.props.postprocessing), { occlusion: { name: 'on', params: {
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samples: 64,
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radius: 8,
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@@ -81,8 +81,8 @@ exports.StructurePreset = (0, representation_preset_1.StructureRepresentationPre
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_b);
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_a = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _a.update, builder = _a.builder, typeParams = _a.typeParams;
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representations = {
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-
ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { sizeFactor: 0.35 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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85
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-
polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: (0, tslib_1.__assign)({}, typeParams), color: 'chain-id', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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84
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+
ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, sizeFactor: 0.35 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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85
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+
polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2 }), color: 'chain-id', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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86
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};
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return [4 /*yield*/, update.commit({ revertOnError: true })];
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case 3:
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@@ -121,8 +121,8 @@ exports.IllustrativePreset = (0, representation_preset_1.StructureRepresentation
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_b);
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_a = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _a.update, builder = _a.builder, typeParams = _a.typeParams;
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123
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representations = {
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124
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'spacefill', typeParams: (0, tslib_1.__assign)({}, typeParams), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'spacefill', typeParams: (0, tslib_1.__assign)({}, typeParams), color: 'illustrative', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'spacefill', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { ignoreLight: true }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'spacefill', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { ignoreLight: true }), color: 'illustrative', colorParams: { palette: plugin.customState.colorPalette } }, { tag: 'polymer' }),
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};
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return [4 /*yield*/, update.commit({ revertOnError: true })];
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@@ -163,8 +163,8 @@ var SurfacePreset = (0, representation_preset_1.StructureRepresentationPresetPro
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_b = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _b.update, builder = _b.builder, typeParams = _b.typeParams;
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'molecular-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { quality: 'custom', resolution: 0.5, doubleSided: true }), color: 'partial-charge' }, { tag: 'polymer' }),
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'molecular-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, quality: 'custom', resolution: 0.5, doubleSided: true }), color: 'partial-charge' }, { tag: 'polymer' }),
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};
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return [4 /*yield*/, update.commit({ revertOnError: true })];
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case 3:
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@@ -205,8 +205,8 @@ var PocketPreset = (0, representation_preset_1.StructureRepresentationPresetProv
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_c);
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_b = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _b.update, builder = _b.builder, typeParams = _b.typeParams;
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representations = {
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
|
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surroundings: builder.buildRepresentation(update, components.surroundings, { type: 'molecular-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { includeParent: true, quality: 'custom', resolution: 0.2, doubleSided: true }), color: 'partial-charge' }, { tag: 'surroundings' }),
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+
ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, sizeFactor: 0.26 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
|
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|
+
surroundings: builder.buildRepresentation(update, components.surroundings, { type: 'molecular-surface', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, includeParent: true, quality: 'custom', resolution: 0.2, doubleSided: true }), color: 'partial-charge' }, { tag: 'surroundings' }),
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};
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return [4 /*yield*/, update.commit({ revertOnError: true })];
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case 3:
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@@ -250,10 +250,10 @@ var InteractionsPreset = (0, representation_preset_1.StructureRepresentationPres
|
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_c);
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_b = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params), update = _b.update, builder = _b.builder, typeParams = _b.typeParams;
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representations = {
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ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { sizeFactor: 0.3 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
|
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|
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ballAndStick: builder.buildRepresentation(update, components.surroundings, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { sizeFactor: 0.1, sizeAspectRatio: 1 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ball-and-stick' }),
|
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255
|
-
interactions: builder.buildRepresentation(update, components.interactions, { type: interactions_1.InteractionsRepresentationProvider, typeParams: (0, tslib_1.__assign)({}, typeParams), color: interaction_type_1.InteractionTypeColorThemeProvider }, { tag: 'interactions' }),
|
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256
|
-
label: builder.buildRepresentation(update, components.surroundings, { type: 'label', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { background: false, borderWidth: 0.1 }), color: 'uniform', colorParams: { value: (0, color_1.Color)(0x000000) } }, { tag: 'label' }),
|
|
253
|
+
ligand: builder.buildRepresentation(update, components.ligand, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, sizeFactor: 0.3 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ligand' }),
|
|
254
|
+
ballAndStick: builder.buildRepresentation(update, components.surroundings, { type: 'ball-and-stick', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, sizeFactor: 0.1, sizeAspectRatio: 1 }), color: 'element-symbol', colorParams: { carbonColor: { name: 'element-symbol', params: {} } } }, { tag: 'ball-and-stick' }),
|
|
255
|
+
interactions: builder.buildRepresentation(update, components.interactions, { type: interactions_1.InteractionsRepresentationProvider, typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2 }), color: interaction_type_1.InteractionTypeColorThemeProvider }, { tag: 'interactions' }),
|
|
256
|
+
label: builder.buildRepresentation(update, components.surroundings, { type: 'label', typeParams: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, typeParams), { roughness: 0.2, background: false, borderWidth: 0.1 }), color: 'uniform', colorParams: { value: (0, color_1.Color)(0x000000) } }, { tag: 'label' }),
|
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|
};
|
|
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|
return [4 /*yield*/, update.commit({ revertOnError: true })];
|
|
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|
case 4:
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
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1
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+
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|
|
@@ -83,6 +83,7 @@ function getFieldType(type, description, values, container) {
|
|
|
83
83
|
case 'DateTime':
|
|
84
84
|
case 'Tag':
|
|
85
85
|
case 'Implied':
|
|
86
|
+
case 'Word':
|
|
86
87
|
return wrapContainer('str', ',', description, container);
|
|
87
88
|
case 'Real':
|
|
88
89
|
return wrapContainer('float', ',', description, container);
|
|
@@ -1 +1 @@
|
|
|
1
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-
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1
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@@ -27,6 +27,7 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
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27
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sizeFactor: number;
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alpha: number;
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29
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
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30
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+
material: import("../../mol-util/material").Material;
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sectorOpacity: number;
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doubleSided: boolean;
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flipSided: boolean;
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@@ -20,6 +20,10 @@ declare const BilayerPlanesParams: {
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20
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xrayShaded: PD.BooleanParam;
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alpha: PD.Numeric;
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22
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quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
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23
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+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
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24
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+
metalness: number;
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25
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+
roughness: number;
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26
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+
}>>;
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23
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};
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28
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export declare type BilayerPlanesParams = typeof BilayerPlanesParams;
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25
29
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export declare type BilayerPlanesProps = PD.Values<BilayerPlanesParams>;
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@@ -32,6 +36,10 @@ declare const BilayerRimsParams: {
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32
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sizeFactor: PD.Numeric;
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33
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alpha: PD.Numeric;
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quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
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39
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+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
|
|
40
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+
metalness: number;
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|
41
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+
roughness: number;
|
|
42
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+
}>>;
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|
35
43
|
};
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36
44
|
export declare type BilayerRimsParams = typeof BilayerRimsParams;
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37
45
|
export declare type BilayerRimsProps = PD.Values<BilayerRimsParams>;
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@@ -45,6 +53,10 @@ export declare const MembraneOrientationParams: {
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45
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|
sizeFactor: PD.Numeric;
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46
54
|
alpha: PD.Numeric;
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|
47
55
|
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
56
|
+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
|
|
57
|
+
metalness: number;
|
|
58
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+
roughness: number;
|
|
59
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+
}>>;
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48
60
|
sectorOpacity: PD.Numeric;
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|
49
61
|
doubleSided: PD.BooleanParam;
|
|
50
62
|
flipSided: PD.BooleanParam;
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@@ -64,6 +76,10 @@ export declare function getMembraneOrientationParams(ctx: ThemeRegistryContext,
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64
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|
sizeFactor: PD.Numeric;
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65
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|
alpha: PD.Numeric;
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66
78
|
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
79
|
+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
|
|
80
|
+
metalness: number;
|
|
81
|
+
roughness: number;
|
|
82
|
+
}>>;
|
|
67
83
|
sectorOpacity: PD.Numeric;
|
|
68
84
|
doubleSided: PD.BooleanParam;
|
|
69
85
|
flipSided: PD.BooleanParam;
|
|
@@ -83,6 +99,10 @@ export declare const MembraneOrientationRepresentationProvider: StructureReprese
|
|
|
83
99
|
sizeFactor: PD.Numeric;
|
|
84
100
|
alpha: PD.Numeric;
|
|
85
101
|
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
102
|
+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
|
|
103
|
+
metalness: number;
|
|
104
|
+
roughness: number;
|
|
105
|
+
}>>;
|
|
86
106
|
sectorOpacity: PD.Numeric;
|
|
87
107
|
doubleSided: PD.BooleanParam;
|
|
88
108
|
flipSided: PD.BooleanParam;
|
|
@@ -45,6 +45,10 @@ export declare const MBParams: {
|
|
|
45
45
|
ignoreLight: PD.BooleanParam;
|
|
46
46
|
xrayShaded: PD.BooleanParam;
|
|
47
47
|
alpha: PD.Numeric;
|
|
48
|
+
material: PD.Converted<import("../../mol-util/material").Material, PD.Normalize<{
|
|
49
|
+
metalness: number;
|
|
50
|
+
roughness: number;
|
|
51
|
+
}>>;
|
|
48
52
|
};
|
|
49
53
|
export declare type MBParams = typeof MBParams;
|
|
50
54
|
export declare type UnitcellProps = PD.Values<MBParams>;
|