molstar 2.3.5 → 2.3.9
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 +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -94
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +290 -1
- package/lib/apps/viewer/index.html +94 -94
- package/lib/apps/viewer/index.js +91 -5
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/viewer/index.d.ts +289 -0
- package/lib/commonjs/apps/viewer/index.js +91 -5
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +0 -0
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +203 -65
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +234 -27
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +34 -6
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
- 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/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +15 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +7 -45
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.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-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +6 -4
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js +5 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
- 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/shader.js +3 -3
- package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
- package/lib/commonjs/mol-gl/webgl/state.js +25 -1
- package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
- package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
- package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/result.js +1 -1
- package/lib/commonjs/mol-io/reader/result.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +3 -3
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder.js +5 -5
- package/lib/commonjs/mol-io/writer/cif/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +4 -4
- package/lib/commonjs/mol-io/writer/mol/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +6 -6
- package/lib/commonjs/mol-io/writer/mol2/encoder.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +9 -2
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +8 -8
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +1 -1
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- package/lib/servers/model/server/structure-wrapper.js +6 -6
- package/lib/servers/model/server/structure-wrapper.js.map +1 -1
- package/lib/servers/model/server.js +3 -3
- package/lib/servers/model/server.js.map +1 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +4 -4
- package/lib/servers/model/utils/fetch-props-pdbe.js.map +1 -1
- package/lib/servers/model/utils/writer.js +2 -2
- package/lib/servers/model/utils/writer.js.map +1 -1
- package/lib/servers/plugin-state/api-schema.js +2 -2
- package/lib/servers/plugin-state/api-schema.js.map +1 -1
- package/lib/servers/plugin-state/index.js +1 -1
- package/lib/servers/plugin-state/index.js.map +1 -1
- package/lib/servers/volume/pack/format/dsn6.js +1 -1
- package/lib/servers/volume/pack/format/dsn6.js.map +1 -1
- package/lib/servers/volume/pack/main.js +4 -4
- package/lib/servers/volume/pack/main.js.map +1 -1
- package/lib/servers/volume/pack/writer.js +1 -1
- package/lib/servers/volume/pack/writer.js.map +1 -1
- package/lib/servers/volume/pack.js +1 -1
- package/lib/servers/volume/pack.js.map +1 -1
- package/lib/servers/volume/server/api.js +7 -7
- package/lib/servers/volume/server/api.js.map +1 -1
- package/lib/servers/volume/server/local-api.js +1 -1
- package/lib/servers/volume/server/local-api.js.map +1 -1
- package/lib/servers/volume/server/query/encode.js +3 -3
- package/lib/servers/volume/server/query/encode.js.map +1 -1
- package/lib/servers/volume/server/query/execute.js +5 -5
- package/lib/servers/volume/server/query/execute.js.map +1 -1
- package/lib/servers/volume/server/version.js +1 -1
- package/lib/servers/volume/server/version.js.map +1 -1
- package/lib/servers/volume/server/web-api.js +7 -7
- package/lib/servers/volume/server/web-api.js.map +1 -1
- package/lib/servers/volume/server/web-schema.js +6 -6
- package/lib/servers/volume/server/web-schema.js.map +1 -1
- package/lib/servers/volume/server.js +2 -2
- package/lib/servers/volume/server.js.map +1 -1
- package/lib/tests/browser/font-atlas.js +1 -1
- package/lib/tests/browser/font-atlas.js.map +1 -1
- package/lib/tests/browser/index.html +36 -36
- package/lib/tests/browser/render-shape.js +1 -1
- package/lib/tests/browser/render-shape.js.map +1 -1
- package/lib/tests/browser/render-structure.js +1 -1
- package/lib/tests/browser/render-structure.js.map +1 -1
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +158 -155
- package/CHANGELOG.md +0 -181
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.d.ts +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.js +0 -5
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.js.map +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js +0 -40
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
- package/lib/commonjs/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
- package/lib/commonjs/mol-repr/structure/visual/aromatic-ring-mesh.js.map +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.js +0 -116
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
- package/lib/commonjs/mol-script/util/residue-list.d.ts +0 -7
- package/lib/commonjs/mol-script/util/residue-list.js +0 -63
- package/lib/commonjs/mol-script/util/residue-list.js.map +0 -1
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.d.ts +0 -1
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.js +0 -2
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.js.map +0 -1
- package/lib/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
- package/lib/mol-model/structure/model/properties/utils/guess-element.js +0 -36
- package/lib/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
- package/lib/mol-model-formats/structure/mol copy.d.ts +0 -17
- package/lib/mol-model-formats/structure/mol copy.js +0 -86
- package/lib/mol-model-formats/structure/mol copy.js.map +0 -1
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.d.ts +0 -0
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js.map +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js +0 -112
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
- package/lib/mol-script/util/residue-list.d.ts +0 -7
- package/lib/mol-script/util/residue-list.js +0 -59
- package/lib/mol-script/util/residue-list.js.map +0 -1
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@@ -9,34 +9,34 @@ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
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import { AssemblySymmetry } from './prop';
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export declare const AssemblySymmetryClusterColorThemeParams: {
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palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
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list: {
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kind: "interpolate" | "set";
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors"> | PD.NamedParams<PD.Normalize<{
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maxCount: number;
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hue: [number, number];
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chroma: [number, number];
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luminance: [number, number];
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clusteringStepCount: number;
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}>, "generate"
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list: {
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors">>;
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}>, "generate">>;
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export declare type AssemblySymmetryClusterColorThemeParams = typeof AssemblySymmetryClusterColorThemeParams;
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export declare function getAssemblySymmetryClusterColorThemeParams(ctx: ThemeDataContext): {
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palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors"> | PD.NamedParams<PD.Normalize<{
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hue: [number, number];
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chroma: [number, number];
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luminance: [number, number];
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clusteringStepCount: number;
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}>, "generate"
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list: {
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors">>;
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}>, "generate">>;
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};
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export declare function AssemblySymmetryClusterColorTheme(ctx: ThemeDataContext, props: PD.Values<AssemblySymmetryClusterColorThemeParams>): ColorTheme<AssemblySymmetryClusterColorThemeParams>;
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export declare const AssemblySymmetryClusterColorThemeProvider: ColorTheme.Provider<AssemblySymmetryClusterColorThemeParams, AssemblySymmetry.Tag.Cluster>;
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}
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}
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function clusterMemberKey(asymId, operList) {
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return asymId
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return "".concat(asymId, "-").concat(operList.join('|'));
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}
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exports.AssemblySymmetryClusterColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ colorList: 'red-yellow-blue' }));
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function getAssemblySymmetryClusterColorThemeParams(ctx) {
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-
{"version":3,"file":"color.js","sourceRoot":"","sources":["../../../../../src/extensions/rcsb/assembly-symmetry/color.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAIH,uEAA2E;AAC3E,+BAAoE;AACpE,iDAAgD;AAChD,0DAAiG;AAGjG,2DAA+E;AAG/E,IAAM,YAAY,GAAG,IAAA,aAAK,EAAC,QAAQ,CAAC,CAAC;AAErC,SAAS,SAAS,CAAC,IAAU;IACzB,QAAQ,IAAI,CAAC,IAAI,EAAE;QACf;YACI,OAAO,+BAAmB,CAAC,KAAK,CAAC,aAAa,CAAC;QACnD,qBAAuB;QACvB;YACI,OAAO,+BAAmB,CAAC,MAAM,CAAC,OAAO,CAAC;KACjD;AACL,CAAC;AAED,SAAS,gBAAgB,CAAC,MAAc,EAAE,QAAkB;IACxD,
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1
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{"version":3,"file":"color.js","sourceRoot":"","sources":["../../../../../src/extensions/rcsb/assembly-symmetry/color.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAIH,uEAA2E;AAC3E,+BAAoE;AACpE,iDAAgD;AAChD,0DAAiG;AAGjG,2DAA+E;AAG/E,IAAM,YAAY,GAAG,IAAA,aAAK,EAAC,QAAQ,CAAC,CAAC;AAErC,SAAS,SAAS,CAAC,IAAU;IACzB,QAAQ,IAAI,CAAC,IAAI,EAAE;QACf;YACI,OAAO,+BAAmB,CAAC,KAAK,CAAC,aAAa,CAAC;QACnD,qBAAuB;QACvB;YACI,OAAO,+BAAmB,CAAC,MAAM,CAAC,OAAO,CAAC;KACjD;AACL,CAAC;AAED,SAAS,gBAAgB,CAAC,MAAc,EAAE,QAAkB;IACxD,OAAO,UAAG,MAAM,cAAI,QAAQ,CAAC,IAAI,CAAC,GAAG,CAAC,CAAE,CAAC;AAC7C,CAAC;AAEY,QAAA,uCAAuC,6BAC7C,IAAA,0BAAgB,EAAC,EAAE,SAAS,EAAE,iBAAiB,EAAE,CAAC,EACvD;AAEF,SAAgB,0CAA0C,CAAC,GAAqB;IAC5E,IAAM,MAAM,GAAG,kCAAE,CAAC,KAAK,CAAC,+CAAuC,CAAC,CAAC;IACjE,OAAO,MAAM,CAAC;AAClB,CAAC;AAHD,gGAGC;AAED,SAAgB,iCAAiC,CAAC,GAAqB,EAAE,KAAyD;;IAC9H,IAAI,KAAK,GAAkB,cAAM,OAAA,YAAY,EAAZ,CAAY,CAAC;IAC9C,IAAI,MAA6C,CAAC;IAElD,IAAM,gBAAgB,GAAG,GAAG,CAAC,SAAS,IAAI,+BAAwB,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,CAAC;IACtF,IAAM,WAAW,GAAG,gBAAgB,aAAhB,gBAAgB,uBAAhB,gBAAgB,CAAE,OAAO,CAAC;IAE9C,IAAM,QAAQ,GAAG,MAAA,gBAAgB,aAAhB,gBAAgB,uBAAhB,gBAAgB,CAAE,KAAK,0CAAE,QAAQ,CAAC;IAEnD,IAAI,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,MAAM,KAAI,GAAG,CAAC,SAAS,EAAE;QACnC,IAAM,GAAC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,GAAG,CAAC,SAAS,CAAC,CAAC;QAE1D,IAAM,iBAAe,GAAG,IAAI,GAAG,EAAkB,CAAC;QAClD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YACvC,IAAA,OAAO,GAAK,QAAQ,CAAC,CAAC,CAAE,QAAjB,CAAkB;YACjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAC9C,IAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAE,CAAC,OAAO,CAAC;gBACnC,IAAM,QAAQ,GAAG,+BAAI,OAAO,CAAC,CAAC,CAAE,CAAC,yBAAyB,IAAI,EAAE,OAAa,CAAC;gBAC9E,iBAAe,CAAC,GAAG,CAAC,gBAAgB,CAAC,MAAM,EAAE,QAAQ,CAAC,EAAE,CAAC,CAAC,CAAC;gBAC3D,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC,EAAE;oBACvB,QAAQ,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,4DAA4D;oBAChF,iBAAe,CAAC,GAAG,CAAC,gBAAgB,CAAC,MAAM,EAAE,QAAQ,CAAC,EAAE,CAAC,CAAC,CAAC;iBAC9D;aACJ;SACJ;QACD,IAAM,SAAO,GAAG,IAAA,oBAAU,EAAC,QAAQ,CAAC,MAAM,EAAE,KAAK,CAAC,CAAC;QACnD,MAAM,GAAG,SAAO,CAAC,MAAM,CAAC;QAExB,IAAM,YAAU,GAAU,EAAE,CAAC;QAC7B,IAAM,UAAQ,GAAG,UAAC,QAAmC;YACzC,IAAA,QAAQ,GAAK,QAAQ,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,SAAxC,CAAyC;YACzD,IAAM,MAAM,GAAG,SAAS,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,QAAQ,CAAC,CAAC;YAClD,IAAM,OAAO,GAAG,iBAAe,CAAC,GAAG,CAAC,gBAAgB,CAAC,MAAM,EAAE,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,QAAQ,KAAI,YAAU,CAAC,CAAC,CAAC;YAChG,OAAO,OAAO,KAAK,SAAS,CAAC,CAAC,CAAC,SAAO,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,YAAY,CAAC;QACzE,CAAC,CAAC;QAEF,KAAK,GAAG,UAAC,QAAkB;YACvB,IAAI,4BAAgB,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,EAAE;gBACxC,OAAO,UAAQ,CAAC,QAAQ,CAAC,CAAC;aAC7B;iBAAM,IAAI,gBAAI,CAAC,UAAU,CAAC,QAAQ,CAAC,EAAE;gBAClC,GAAC,CAAC,IAAI,GAAG,QAAQ,CAAC,KAAK,CAAC;gBACxB,GAAC,CAAC,OAAO,GAAG,QAAQ,CAAC,KAAK,CAAC,QAAQ,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC;gBACrD,OAAO,UAAQ,CAAC,GAAC,CAAC,CAAC;aACtB;YACD,OAAO,YAAY,CAAC;QACxB,CAAC,CAAC;KACL;IAED,OAAO;QACH,OAAO,EAAE,iCAAiC;QAC1C,WAAW,EAAE,UAAU;QACvB,KAAK,OAAA;QACL,KAAK,OAAA;QACL,WAAW,aAAA;QACX,WAAW,EAAE,2HAA2H;QACxI,MAAM,QAAA;KACT,CAAC;AACN,CAAC;AAzDD,8EAyDC;AAEY,QAAA,yCAAyC,GAA+F;IACjJ,IAAI,EAAE,uBAAgB,CAAC,GAAG,CAAC,OAAO;IAClC,KAAK,EAAE,2BAA2B;IAClC,QAAQ,2BAA8B;IACtC,OAAO,EAAE,iCAAiC;IAC1C,SAAS,EAAE,0CAA0C;IACrD,aAAa,EAAE,kCAAE,CAAC,gBAAgB,CAAC,+CAAuC,CAAC;IAC3E,YAAY,EAAE,UAAC,GAAqB,IAAK,OAAA,uBAAgB,CAAC,YAAY,CAAC,GAAG,CAAC,SAAS,CAAC,EAA5C,CAA4C;IACrF,sBAAsB,EAAE;QACpB,MAAM,EAAE,UAAC,GAA2B,EAAE,IAAsB,IAAK,OAAA,IAAI,CAAC,SAAS,CAAC,CAAC,CAAC,+BAAwB,CAAC,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,SAAS,EAAE,KAAK,CAAC,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,EAAE,EAAvG,CAAuG;QACxK,MAAM,EAAE,UAAC,IAAI,IAAK,OAAA,IAAI,CAAC,SAAS,IAAI,+BAAwB,CAAC,GAAG,CAAC,IAAI,CAAC,SAAS,EAAE,KAAK,CAAC,EAArE,CAAqE;KAC1F;CACJ,CAAC"}
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@@ -143,7 +143,7 @@ function getSymmetrySelectParam(structure) {
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for (var i = 0, il = assemblySymmetryData.length; i < il; ++i) {
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var _a = assemblySymmetryData[i], symbol = _a.symbol, kind = _a.kind;
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options.push([i, "".concat(i + 1, ": ").concat(symbol, " ").concat(kind)]);
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assemblySymmetryData = exports.AssemblySymmetryDataProvider.get(data).value;
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assemblySymmetry = assemblySymmetryData === null || assemblySymmetryData === void 0 ? void 0 : assemblySymmetryData[p.symmetryIndex];
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new Error("No assembly symmetry found for index ".concat(p.symmetryIndex));
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-
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+
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@@ -18,9 +18,9 @@ export declare const AssemblySymmetryParams: {
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|
18
18
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xrayShaded: PD.BooleanParam;
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|
19
19
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alpha: PD.Numeric;
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20
20
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quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
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21
|
-
axesColor: PD.Mapped<PD.NamedParams<PD.Normalize<
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21
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+
axesColor: PD.Mapped<PD.NamedParams<PD.Normalize<{
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22
22
|
colorValue: Color;
|
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23
|
-
}>, "uniform">>;
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23
|
+
}>, "uniform"> | PD.NamedParams<PD.Normalize<unknown>, "byOrder">>;
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24
24
|
};
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25
25
|
export declare type AssemblySymmetryParams = typeof AssemblySymmetryParams;
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26
26
|
export declare type AssemblySymmetryProps = PD.Values<AssemblySymmetryParams>;
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@@ -64,7 +64,7 @@ exports.AssemblySymmetryParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0,
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64
64
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function getAssemblyName(s) {
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65
65
|
var _a;
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66
66
|
var id = ((_a = s.units[0].conformation.operator.assembly) === null || _a === void 0 ? void 0 : _a.id) || '';
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67
|
-
return (0, number_1.isInteger)(id) ? "Assembly "
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67
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+
return (0, number_1.isInteger)(id) ? "Assembly ".concat(id) : id;
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68
68
|
}
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69
69
|
var t = linear_algebra_1.Mat4.identity();
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|
70
70
|
var tmpV = (0, linear_algebra_1.Vec3)();
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@@ -146,9 +146,9 @@ function getAxesShape(ctx, data, props, shape) {
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|
146
146
|
var type = assemblySymmetry.type, symbol = assemblySymmetry.symbol, kind = assemblySymmetry.kind, rotation_axes = assemblySymmetry.rotation_axes;
|
|
147
147
|
var order = (_a = rotation_axes[groupId]) === null || _a === void 0 ? void 0 : _a.order;
|
|
148
148
|
return [
|
|
149
|
-
"<small>"
|
|
150
|
-
"<small>"
|
|
151
|
-
"Axis "
|
|
149
|
+
"<small>".concat(data.model.entryId, "</small>"),
|
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150
|
+
"<small>".concat(getAssemblyName(data), "</small>"),
|
|
151
|
+
"Axis ".concat(groupId + 1, " with Order ").concat(order, " of ").concat(type, " ").concat(kind, " (").concat(symbol, ")")
|
|
152
152
|
].join(' | ');
|
|
153
153
|
};
|
|
154
154
|
return shape_1.Shape.create('Axes', data, geo, getColor, function () { return 1; }, getLabel);
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@@ -349,9 +349,9 @@ function getCageShape(ctx, data, props, shape) {
|
|
|
349
349
|
var type = assemblySymmetry.type, symbol = assemblySymmetry.symbol, kind = assemblySymmetry.kind;
|
|
350
350
|
data.model.entryId;
|
|
351
351
|
return [
|
|
352
|
-
"<small>"
|
|
353
|
-
"<small>"
|
|
354
|
-
"Cage of "
|
|
352
|
+
"<small>".concat(data.model.entryId, "</small>"),
|
|
353
|
+
"<small>".concat(getAssemblyName(data), "</small>"),
|
|
354
|
+
"Cage of ".concat(type, " ").concat(kind, " (").concat(symbol, ")")
|
|
355
355
|
].join(' | ');
|
|
356
356
|
};
|
|
357
357
|
return shape_1.Shape.create('Cage', data, geo, getColor, function () { return 1; }, getLabel);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
@@ -115,7 +115,7 @@ function geometryQualityLabel(loci) {
|
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|
115
115
|
}
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|
116
116
|
var summary_1 = [];
|
|
117
117
|
issues_1.forEach(function (name) { return summary_1.push(name); });
|
|
118
|
-
return "Geometry Quality <small>(1 Atom)</small>: "
|
|
118
|
+
return "Geometry Quality <small>(1 Atom)</small>: ".concat(summary_1.join(', '));
|
|
119
119
|
}
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120
120
|
var hasValidationReport = false;
|
|
121
121
|
var seen_1 = new Set();
|
|
@@ -152,15 +152,15 @@ function geometryQualityLabel(loci) {
|
|
|
152
152
|
}
|
|
153
153
|
if (!hasValidationReport)
|
|
154
154
|
return;
|
|
155
|
-
var residueCount = "<small>("
|
|
155
|
+
var residueCount = "<small>(".concat(seen_1.size, " ").concat(seen_1.size > 1 ? 'Residues' : 'Residue', ")</small>");
|
|
156
156
|
if (cummulativeIssues_1.size === 0) {
|
|
157
|
-
return "Geometry Quality "
|
|
157
|
+
return "Geometry Quality ".concat(residueCount, ": no issues");
|
|
158
158
|
}
|
|
159
159
|
var summary_2 = [];
|
|
160
160
|
cummulativeIssues_1.forEach(function (count, name) {
|
|
161
|
-
summary_2.push(""
|
|
161
|
+
summary_2.push("".concat(name).concat(count > 1 ? " \u00D7 ".concat(count) : ''));
|
|
162
162
|
});
|
|
163
|
-
return "Geometry Quality "
|
|
163
|
+
return "Geometry Quality ".concat(residueCount, ": ").concat(summary_2.join(', '));
|
|
164
164
|
}
|
|
165
165
|
}
|
|
166
166
|
function densityFitLabel(loci) {
|
|
@@ -208,14 +208,14 @@ function densityFitLabel(loci) {
|
|
|
208
208
|
return;
|
|
209
209
|
var summary = [];
|
|
210
210
|
if (rsrzSeen_1.size) {
|
|
211
|
-
var rsrzCount = "<small>("
|
|
211
|
+
var rsrzCount = "<small>(".concat(rsrzSeen_1.size, " ").concat(rsrzSeen_1.size > 1 ? 'Residues avg.' : 'Residue', ")</small>");
|
|
212
212
|
var rsrzAvg = rsrzSum_1 / rsrzSeen_1.size;
|
|
213
|
-
summary.push("Real-Space R Z-score "
|
|
213
|
+
summary.push("Real-Space R Z-score ".concat(rsrzCount, ": ").concat(rsrzAvg.toFixed(2)));
|
|
214
214
|
}
|
|
215
215
|
if (rsccSeen_1.size) {
|
|
216
|
-
var rsccCount = "<small>("
|
|
216
|
+
var rsccCount = "<small>(".concat(rsccSeen_1.size, " ").concat(rsccSeen_1.size > 1 ? 'Residues avg.' : 'Residue', ")</small>");
|
|
217
217
|
var rsccAvg = rsccSum_1 / rsccSeen_1.size;
|
|
218
|
-
summary.push("Real-Space Correlation Coefficient "
|
|
218
|
+
summary.push("Real-Space Correlation Coefficient ".concat(rsccCount, ": ").concat(rsccAvg.toFixed(2)));
|
|
219
219
|
}
|
|
220
220
|
if (summary.length) {
|
|
221
221
|
return summary.join('</br>');
|
|
@@ -256,9 +256,9 @@ function randomCoilIndexLabel(loci) {
|
|
|
256
256
|
}
|
|
257
257
|
if (seen_3.size === 0)
|
|
258
258
|
return;
|
|
259
|
-
var residueCount = "<small>("
|
|
259
|
+
var residueCount = "<small>(".concat(seen_3.size, " ").concat(seen_3.size > 1 ? 'Residues avg.' : 'Residue', ")</small>");
|
|
260
260
|
var rciAvg = sum_1 / seen_3.size;
|
|
261
|
-
return "Random Coil Index "
|
|
261
|
+
return "Random Coil Index ".concat(residueCount, ": ").concat(rciAvg.toFixed(2));
|
|
262
262
|
}
|
|
263
263
|
}
|
|
264
264
|
//
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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|
@@ -35,7 +35,7 @@ var ValidationReport;
|
|
|
35
35
|
ValidationReport.DefaultBaseUrl = '//ftp.rcsb.org/pub/pdb/validation_reports';
|
|
36
36
|
function getEntryUrl(pdbId, baseUrl) {
|
|
37
37
|
var id = pdbId.toLowerCase();
|
|
38
|
-
return baseUrl
|
|
38
|
+
return "".concat(baseUrl, "/").concat(id.substr(1, 2), "/").concat(id, "/").concat(id, "_validation.xml.gz");
|
|
39
39
|
}
|
|
40
40
|
ValidationReport.getEntryUrl = getEntryUrl;
|
|
41
41
|
function isApplicable(model) {
|
|
@@ -296,7 +296,7 @@ function ClashesBuilder(elementsCount) {
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|
296
296
|
var seen = new Map();
|
|
297
297
|
return {
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298
298
|
add: function (element, id, magnitude, distance, isSymop) {
|
|
299
|
-
var hash = id
|
|
299
|
+
var hash = "".concat(id, "|").concat(isSymop ? 's' : '');
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|
300
300
|
var other = seen.get(hash);
|
|
301
301
|
if (other !== undefined) {
|
|
302
302
|
aIndices[aIndices.length] = element;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -16,6 +16,9 @@ export declare const IntraUnitClashParams: {
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16
16
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sizeFactor: PD.Numeric;
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17
17
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linkScale: PD.Numeric;
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18
18
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linkSpacing: PD.Numeric;
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19
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+
aromaticScale: PD.Numeric;
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20
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+
aromaticSpacing: PD.Numeric;
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21
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+
aromaticDashCount: PD.Numeric;
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19
22
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dashCount: PD.Numeric;
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20
23
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dashScale: PD.Numeric;
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21
24
|
dashCap: PD.BooleanParam;
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@@ -38,6 +41,9 @@ export declare const InterUnitClashParams: {
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38
41
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sizeFactor: PD.Numeric;
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39
42
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linkScale: PD.Numeric;
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40
43
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linkSpacing: PD.Numeric;
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44
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+
aromaticScale: PD.Numeric;
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45
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+
aromaticSpacing: PD.Numeric;
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46
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+
aromaticDashCount: PD.Numeric;
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41
47
|
dashCount: PD.Numeric;
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42
48
|
dashScale: PD.Numeric;
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|
43
49
|
dashCap: PD.BooleanParam;
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@@ -62,6 +68,9 @@ export declare const ClashesParams: {
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62
68
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sizeFactor: PD.Numeric;
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63
69
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linkScale: PD.Numeric;
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|
64
70
|
linkSpacing: PD.Numeric;
|
|
71
|
+
aromaticScale: PD.Numeric;
|
|
72
|
+
aromaticSpacing: PD.Numeric;
|
|
73
|
+
aromaticDashCount: PD.Numeric;
|
|
65
74
|
dashCount: PD.Numeric;
|
|
66
75
|
dashScale: PD.Numeric;
|
|
67
76
|
dashCap: PD.BooleanParam;
|
|
@@ -84,6 +93,9 @@ export declare function getClashesParams(ctx: ThemeRegistryContext, structure: S
|
|
|
84
93
|
sizeFactor: PD.Numeric;
|
|
85
94
|
linkScale: PD.Numeric;
|
|
86
95
|
linkSpacing: PD.Numeric;
|
|
96
|
+
aromaticScale: PD.Numeric;
|
|
97
|
+
aromaticSpacing: PD.Numeric;
|
|
98
|
+
aromaticDashCount: PD.Numeric;
|
|
87
99
|
dashCount: PD.Numeric;
|
|
88
100
|
dashScale: PD.Numeric;
|
|
89
101
|
dashCap: PD.BooleanParam;
|
|
@@ -107,6 +119,9 @@ export declare const ClashesRepresentationProvider: StructureRepresentationProvi
|
|
|
107
119
|
sizeFactor: PD.Numeric;
|
|
108
120
|
linkScale: PD.Numeric;
|
|
109
121
|
linkSpacing: PD.Numeric;
|
|
122
|
+
aromaticScale: PD.Numeric;
|
|
123
|
+
aromaticSpacing: PD.Numeric;
|
|
124
|
+
aromaticDashCount: PD.Numeric;
|
|
110
125
|
dashCount: PD.Numeric;
|
|
111
126
|
dashScale: PD.Numeric;
|
|
112
127
|
dashCap: PD.BooleanParam;
|
|
@@ -78,7 +78,7 @@ function getIntraClashLabel(structure, unit, clashes, elements) {
|
|
|
78
78
|
var mag = magnitude[idx].toFixed(2);
|
|
79
79
|
var dist = distance[idx].toFixed(2);
|
|
80
80
|
return [
|
|
81
|
-
"Clash id: "
|
|
81
|
+
"Clash id: ".concat(id[idx], " | Magnitude: ").concat(mag, " \u212B | Distance: ").concat(dist, " \u212B"),
|
|
82
82
|
(0, label_1.bondLabel)(structure_1.Bond.Location(structure, unit, clashes.a[idx], structure, unit, clashes.b[idx]))
|
|
83
83
|
].join('</br>');
|
|
84
84
|
}
|
|
@@ -176,7 +176,7 @@ function getInterClashLabel(structure, clashes, elements) {
|
|
|
176
176
|
var mag = c.props.magnitude.toFixed(2);
|
|
177
177
|
var dist = c.props.distance.toFixed(2);
|
|
178
178
|
return [
|
|
179
|
-
"Clash id: "
|
|
179
|
+
"Clash id: ".concat(c.props.id, " | Magnitude: ").concat(mag, " \u212B | Distance: ").concat(dist, " \u212B"),
|
|
180
180
|
(0, label_1.bondLabel)(structure_1.Bond.Location(structure, uA, c.indexA, structure, uB, c.indexB))
|
|
181
181
|
].join('</br>');
|
|
182
182
|
}
|