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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@@ -109,7 +109,7 @@ function buildIndex(structure, index, sI) {
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109
109
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var rI = residueOffset[eI];
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110
110
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if (!dbName[rI])
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111
111
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continue;
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112
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-
var key = dbName[rI]
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112
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+
var key = "".concat(dbName[rI], "-").concat(accession[rI], "-").concat(num[rI]);
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113
113
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if (!index.has(key)) {
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114
114
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index.set(key, { key: key, pivots: (_a = {}, _a[sI] = [unit, eI, elements[residueSegment.end]], _a) });
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115
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}
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@@ -1 +1 @@
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1
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-
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1
|
+
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|
|
@@ -52,8 +52,8 @@ export var Volume;
|
|
|
52
52
|
IsoValue.toRelative = toRelative;
|
|
53
53
|
function toString(value) {
|
|
54
54
|
return value.kind === 'relative'
|
|
55
|
-
? value.relativeValue.toFixed(2)
|
|
56
|
-
: ""
|
|
55
|
+
? "".concat(value.relativeValue.toFixed(2), " \u03C3")
|
|
56
|
+
: "".concat(value.absoluteValue.toPrecision(4));
|
|
57
57
|
}
|
|
58
58
|
IsoValue.toString = toString;
|
|
59
59
|
})(IsoValue = Volume.IsoValue || (Volume.IsoValue = {}));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"volume.js","sourceRoot":"","sources":["../../../src/mol-model/volume/volume.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,QAAQ,CAAC;AAC9B,OAAO,EAAE,UAAU,EAAE,MAAM,oBAAoB,CAAC;AAChD,OAAO,EAAE,QAAQ,EAAE,MAAM,yBAAyB,CAAC;AACnD,OAAO,EAAE,IAAI,EAAE,IAAI,EAAE,MAAM,+BAA+B,CAAC;AAC3D,OAAO,EAAE,cAAc,EAAE,MAAM,yCAAyC,CAAC;AACzE,OAAO,EAAE,UAAU,EAAE,MAAM,qCAAqC,CAAC;AACjE,OAAO,EAAE,QAAQ,EAAE,MAAM,yCAAyC,CAAC;AAEnE,OAAO,EAAE,gBAAgB,EAAE,MAAM,oBAAoB,CAAC;AACtD,OAAO,EAAE,eAAe,IAAI,EAAE,EAAE,MAAM,iCAAiC,CAAC;AACxE,OAAO,EAAE,WAAW,EAAE,MAAM,uBAAuB,CAAC;AAqBpD,MAAM,KAAW,MAAM,CAsKtB;AAtKD,WAAiB,MAAM;IACnB,SAAgB,EAAE,CAAC,CAAM;;QACrB,gBAAgB;QAChB,OAAO,CACH,CAAA,MAAA,MAAA,MAAA,MAAA,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,IAAI,0CAAE,KAAK,0CAAE,KAAK,0CAAE,UAAU,0CAAE,MAAM;aACzC,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,UAAU,CAAA;aACb,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,gBAAgB,CAAA;aACnB,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,aAAa,CAAA,CACnB,CAAC;IACN,CAAC;IARe,SAAE,KAQjB,CAAA;IAMD,IAAiB,QAAQ,CAgCxB;IAhCD,WAAiB,QAAQ;QAIrB,SAAgB,OAAO,CAAC,CAAW,EAAE,CAAW,EAAE,KAAoB;YAClE,OAAO,QAAQ,CAAC,UAAU,CAAC,CAAC,EAAE,KAAK,CAAC,CAAC,aAAa,EAAE,UAAU,CAAC,CAAC,EAAE,KAAK,CAAC,CAAC,aAAa,EAAE,KAAK,CAAC,KAAK,GAAG,GAAG,CAAC,CAAC;QAC/G,CAAC;QAFe,gBAAO,UAEtB,CAAA;QAED,SAAgB,QAAQ,CAAC,KAAa,IAAc,OAAO,EAAE,IAAI,EAAE,UAAU,EAAE,aAAa,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC;QAAxF,iBAAQ,WAAgF,CAAA;QACxG,SAAgB,QAAQ,CAAC,KAAa,IAAc,OAAO,EAAE,IAAI,EAAE,UAAU,EAAE,aAAa,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC;QAAxF,iBAAQ,WAAgF,CAAA;QAExG,SAAgB,YAAY,CAAC,KAAoB,EAAE,aAAqB;YACpE,OAAO,aAAa,GAAG,KAAK,CAAC,KAAK,GAAG,KAAK,CAAC,IAAI,CAAC;QACpD,CAAC;QAFe,qBAAY,eAE3B,CAAA;QAED,SAAgB,YAAY,CAAC,KAAoB,EAAE,aAAqB;YACpE,OAAO,KAAK,CAAC,KAAK,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,aAAa,GAAG,KAAK,CAAC,IAAI,CAAC,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC;QAChF,CAAC;QAFe,qBAAY,eAE3B,CAAA;QAED,SAAgB,UAAU,CAAC,KAAe,EAAE,KAAoB;YAC5D,OAAO,KAAK,CAAC,IAAI,KAAK,UAAU,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,EAAE,UAAU,EAAE,aAAa,EAAE,QAAQ,CAAC,YAAY,CAAC,KAAK,EAAE,KAAK,CAAC,aAAa,CAAC,EAAE,CAAC;QACtI,CAAC;QAFe,mBAAU,aAEzB,CAAA;QAED,SAAgB,UAAU,CAAC,KAAe,EAAE,KAAoB;YAC5D,OAAO,KAAK,CAAC,IAAI,KAAK,UAAU,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,EAAE,UAAU,EAAE,aAAa,EAAE,QAAQ,CAAC,YAAY,CAAC,KAAK,EAAE,KAAK,CAAC,aAAa,CAAC,EAAE,CAAC;QACtI,CAAC;QAFe,mBAAU,aAEzB,CAAA;QAED,SAAgB,QAAQ,CAAC,KAAe;YACpC,OAAO,KAAK,CAAC,IAAI,KAAK,UAAU;gBAC5B,CAAC,CAAC,UAAG,KAAK,CAAC,aAAa,CAAC,OAAO,CAAC,CAAC,CAAC,YAAI;gBACvC,CAAC,CAAC,UAAG,KAAK,CAAC,aAAa,CAAC,WAAW,CAAC,CAAC,CAAC,CAAE,CAAC;QAClD,CAAC;QAJe,iBAAQ,WAIvB,CAAA;IACL,CAAC,EAhCgB,QAAQ,GAAR,eAAQ,KAAR,eAAQ,QAgCxB;IAED,IAAM,YAAY,GAAkB,EAAE,GAAG,EAAE,CAAC,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,KAAK,EAAE,GAAG,EAAE,CAAC;IAC7E,SAAgB,mBAAmB,CAAC,YAA6B,EAAE,KAAqB;QACpF,IAAM,GAAG,GAAG,KAAK,IAAI,YAAY,CAAC;QAC1B,IAAA,GAAG,GAAuB,GAAG,IAA1B,EAAE,GAAG,GAAkB,GAAG,IAArB,EAAE,IAAI,GAAY,GAAG,KAAf,EAAE,KAAK,GAAK,GAAG,MAAR,CAAS;QAEtC,iEAAiE;QACjE,IAAM,MAAM,GAAG,CAAC,GAAG,GAAG,IAAI,CAAC,GAAG,KAAK,CAAC;QACpC,IAAM,MAAM,GAAG,CAAC,GAAG,GAAG,IAAI,CAAC,GAAG,KAAK,CAAC;QAEpC,IAAI,GAAG,GAAG,YAAY,CAAC;QACvB,IAAI,YAAY,CAAC,IAAI,KAAK,UAAU,EAAE;YAClC,IAAI,YAAY,CAAC,aAAa,GAAG,GAAG;gBAAE,GAAG,GAAG,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC;iBACrE,IAAI,YAAY,CAAC,aAAa,GAAG,GAAG;gBAAE,GAAG,GAAG,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC;SAClF;aAAM;YACH,IAAI,YAAY,CAAC,aAAa,GAAG,MAAM;gBAAE,GAAG,GAAG,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC;iBAC3E,IAAI,YAAY,CAAC,aAAa,GAAG,MAAM;gBAAE,GAAG,GAAG,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC;SACxF;QAED,OAAO,EAAE,CAAC,WAAW,CACjB,GAAG,EACH;YACI,UAAU,EAAE,EAAE,CAAC,SAAS,CACpB,UAAC,CAAkB,IAAK,OAAA,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,EAAE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,aAAa,EAA3D,CAA2D,EACnF,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC,CAAC,EAA3B,CAA2B,EAC1C,EAAE,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,GAAG,KAAA,EAAE,GAAG,KAAA,EAAE,IAAI,EAAE,WAAW,CAAC,KAAK,GAAG,GAAG,EAAE,CAAC,CAAC,EAAE,CAAC,CACpE;YACD,UAAU,EAAE,EAAE,CAAC,SAAS,CACpB,UAAC,CAAkB,IAAK,OAAA,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,EAAE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,aAAa,EAA3D,CAA2D,EACnF,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC,CAAC,EAA3B,CAA2B,EAC1C,EAAE,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,MAAM,CAAC,EAAE,EAAE,GAAG,EAAE,MAAM,EAAE,GAAG,EAAE,MAAM,EAAE,IAAI,EAAE,WAAW,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,GAAG,GAAG,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC,GAAG,GAAG,EAAE,CAAC,CAAC,EAAE,CAAC,CAC/H;SACJ,EACD,UAAC,CAAkB,IAAK,OAAA,CAAC,CAAC,IAAI,KAAK,UAAU,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,UAAU,EAA/C,CAA+C,EACvE,UAAC,CAAkB,EAAE,CAA0B,IAAK,OAAA,CAAC,KAAK,UAAU,CAAC,CAAC,CAAC,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,EAAE,GAAG,CAAC,EAA1F,CAA0F,EAC9I,EAAE,WAAW,EAAE,IAAI,EAAE,CACxB,CAAC;IACN,CAAC;IAnCe,0BAAmB,sBAmClC,CAAA;IAEY,oBAAa,GAAG,mBAAmB,CAAC,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC;IAGjE,UAAG,GAAW;QACvB,KAAK,EAAE,EAAE;QACT,IAAI,EAAE,IAAI,CAAC,GAAG;QACd,UAAU,EAAE,EAAE,IAAI,EAAE,EAAE,EAAE,IAAI,EAAE,EAAE,EAAE,IAAI,EAAE,EAAE,EAAE;QAC5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@@ -17,14 +17,14 @@ export declare const PlyShapeParams: {
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17
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red: string;
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18
18
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green: string;
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19
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blue: string;
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20
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-
}>, "
|
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20
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+
}>, "material"> | PD.NamedParams<PD.Normalize<{
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21
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red: string;
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22
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green: string;
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23
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blue: string;
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24
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-
}>, "material">>;
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25
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-
grouping: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "none"> | PD.NamedParams<PD.Normalize<{
|
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26
|
-
group: string;
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|
27
24
|
}>, "vertex">>;
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25
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+
grouping: PD.Mapped<PD.NamedParams<PD.Normalize<{
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26
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+
group: string;
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27
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+
}>, "vertex"> | PD.NamedParams<PD.Normalize<unknown>, "none">>;
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28
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doubleSided: PD.BooleanParam;
|
|
29
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|
flipSided: PD.BooleanParam;
|
|
30
30
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flatShaded: PD.BooleanParam;
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|
@@ -41,14 +41,14 @@ export declare function shapeFromPly(source: PlyFile, params?: {}): Task<ShapePr
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41
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red: string;
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green: string;
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43
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blue: string;
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44
|
-
}>, "
|
|
44
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+
}>, "material"> | PD.NamedParams<PD.Normalize<{
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45
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|
red: string;
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46
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green: string;
|
|
47
47
|
blue: string;
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|
48
|
-
}>, "material">>;
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|
49
|
-
grouping: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "none"> | PD.NamedParams<PD.Normalize<{
|
|
50
|
-
group: string;
|
|
51
48
|
}>, "vertex">>;
|
|
49
|
+
grouping: PD.Mapped<PD.NamedParams<PD.Normalize<{
|
|
50
|
+
group: string;
|
|
51
|
+
}>, "vertex"> | PD.NamedParams<PD.Normalize<unknown>, "none">>;
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52
52
|
doubleSided: PD.BooleanParam;
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53
53
|
flipSided: PD.BooleanParam;
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54
54
|
flatShaded: PD.BooleanParam;
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|
@@ -217,7 +217,7 @@ function createShape(plyFile, mesh, coloring, grouping) {
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217
217
|
return Color.fromRgb(red.value(idx), green.value(idx), blue.value(idx));
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|
218
218
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}, function () { return 1; }, // size: constant
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219
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function (groupId) {
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220
|
-
return label
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|
220
|
+
return "".concat(label, " ").concat(ids[groupId]);
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|
221
221
|
});
|
|
222
222
|
}
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223
223
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function makeShapeGetter() {
|
|
@@ -1 +1 @@
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|
1
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-
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|
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1
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+
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|
|
@@ -119,9 +119,9 @@ function createChainOperatorMappingAndSubstituteNames(hierarchy, format) {
|
|
|
119
119
|
});
|
|
120
120
|
var suffix = entries.suffix.value(i);
|
|
121
121
|
var label = entries.label_asym_id.value(i);
|
|
122
|
-
labelMap.set(""
|
|
122
|
+
labelMap.set("".concat(label).concat(suffix), { name: label, operator: operator });
|
|
123
123
|
var auth = entries.auth_asym_id.value(i);
|
|
124
|
-
authMap.set(""
|
|
124
|
+
authMap.set("".concat(auth).concat(suffix), auth);
|
|
125
125
|
}
|
|
126
126
|
var _a = hierarchy.chains, label_asym_id = _a.label_asym_id, auth_asym_id = _a.auth_asym_id;
|
|
127
127
|
var mappedLabel = new Array(label_asym_id.rowCount);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
@@ -11,7 +11,7 @@ import { Table } from '../../../mol-data/db';
|
|
|
11
11
|
function getMissingResidues(data) {
|
|
12
12
|
var map = new Map();
|
|
13
13
|
var getKey = function (model_num, asym_id, seq_id) {
|
|
14
|
-
return model_num
|
|
14
|
+
return "".concat(model_num, "|").concat(asym_id, "|").concat(seq_id);
|
|
15
15
|
};
|
|
16
16
|
var c = data.pdbx_unobs_or_zero_occ_residues;
|
|
17
17
|
for (var i = 0, il = c._rowCount; i < il; ++i) {
|
|
@@ -61,7 +61,7 @@ function getSaccharideComponentMap(data) {
|
|
|
61
61
|
map.set(comp_id.value(i), saccharideComp);
|
|
62
62
|
}
|
|
63
63
|
else {
|
|
64
|
-
console.warn("Unknown SNFG name '"
|
|
64
|
+
console.warn("Unknown SNFG name '".concat(snfgName, "'"));
|
|
65
65
|
}
|
|
66
66
|
}
|
|
67
67
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"properties.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/basic/properties.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAIH,OAAO,EAAE,eAAe,EAAgB,2BAA2B,EAAE,MAAM,0CAA0C,CAAC;AACtH,OAAO,EAA+C,kBAAkB,EAAE,mBAAmB,EAAE,0BAA0B,EAAE,MAAM,gEAAgE,CAAC;AAClM,OAAO,EAAE,QAAQ,EAAE,MAAM,2BAA2B,CAAC;AAErD,OAAO,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AAE7C,SAAS,kBAAkB,CAAC,IAAe;IACvC,IAAM,GAAG,GAAG,IAAI,GAAG,EAA0B,CAAC;IAC9C,IAAM,MAAM,GAAG,UAAC,SAAiB,EAAE,OAAe,EAAE,MAAc;QAC9D,
|
|
1
|
+
{"version":3,"file":"properties.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/basic/properties.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAIH,OAAO,EAAE,eAAe,EAAgB,2BAA2B,EAAE,MAAM,0CAA0C,CAAC;AACtH,OAAO,EAA+C,kBAAkB,EAAE,mBAAmB,EAAE,0BAA0B,EAAE,MAAM,gEAAgE,CAAC;AAClM,OAAO,EAAE,QAAQ,EAAE,MAAM,2BAA2B,CAAC;AAErD,OAAO,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AAE7C,SAAS,kBAAkB,CAAC,IAAe;IACvC,IAAM,GAAG,GAAG,IAAI,GAAG,EAA0B,CAAC;IAC9C,IAAM,MAAM,GAAG,UAAC,SAAiB,EAAE,OAAe,EAAE,MAAc;QAC9D,OAAO,UAAG,SAAS,cAAI,OAAO,cAAI,MAAM,CAAE,CAAC;IAC/C,CAAC,CAAC;IAEF,IAAM,CAAC,GAAG,IAAI,CAAC,+BAA+B,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,CAAC,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC3C,IAAM,GAAG,GAAG,MAAM,CAAC,CAAC,CAAC,aAAa,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,aAAa,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAChG,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,EAAE,YAAY,EAAE,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,cAAc,EAAE,CAAC,CAAC,cAAc,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;KACtG;IAED,OAAO;QACH,GAAG,EAAE,UAAC,SAAiB,EAAE,OAAe,EAAE,MAAc;YACpD,OAAO,GAAG,CAAC,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,OAAO,EAAE,MAAM,CAAC,CAAC,CAAC;QACvD,CAAC;QACD,GAAG,EAAE,UAAC,SAAiB,EAAE,OAAe,EAAE,MAAc;YACpD,OAAO,GAAG,CAAC,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,OAAO,EAAE,MAAM,CAAC,CAAC,CAAC;QACvD,CAAC;QACD,IAAI,EAAE,GAAG,CAAC,IAAI;KACjB,CAAC;AACN,CAAC;AAED,SAAS,uBAAuB,CAAC,IAAe;IAC5C,IAAM,GAAG,GAAG,IAAI,GAAG,EAA6B,CAAC;IAEjD,IAAI,IAAI,CAAC,SAAS,CAAC,SAAS,GAAG,CAAC,EAAE;QACtB,IAAA,EAAE,GAAK,IAAI,CAAC,SAAS,GAAnB,CAAoB;QAC9B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC3C,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,SAAS,EAAE,CAAC,CAAC,CAAC,CAAC;SACzD;KACJ;SAAM;QACH,IAAM,WAAW,GAAG,uBAAuB,CAAC,IAAI,CAAC,CAAC;QAClD,WAAW,CAAC,OAAO,CAAC,UAAA,CAAC;YACjB,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,2BAA2B,CAAC,CAAC,CAAC,CAAC,CAAC;QAC/C,CAAC,CAAC,CAAC;KACN;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,yBAAyB,CAAC,IAAe;IAC9C,IAAM,GAAG,GAAG,IAAI,GAAG,EAA+B,CAAC;IAEnD,IAAI,IAAI,CAAC,yBAAyB,CAAC,SAAS,GAAG,CAAC,EAAE;QAC9C,yDAAyD;QACzD,yEAAyE;QACzE,mDAAmD;QAC7C,IAAA,KAAgC,IAAI,CAAC,yBAAyB,EAA5D,OAAO,aAAA,EAAE,IAAI,UAAA,EAAE,UAAU,gBAAmC,CAAC;QACrE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,OAAO,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAChD,IAAI,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,0BAA0B;gBAC5C,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,kBAAkB,CAAC,8CAA8C;cACrF;gBACE,IAAM,QAAQ,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBACrC,IAAM,cAAc,GAAG,kBAAkB,CAAC,GAAG,CAAC,QAAQ,CAAC,CAAC;gBACxD,IAAI,cAAc,EAAE;oBAChB,GAAG,CAAC,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,cAAc,CAAC,CAAC;iBAC7C;qBAAM;oBACH,OAAO,CAAC,IAAI,CAAC,6BAAsB,QAAQ,MAAG,CAAC,CAAC;iBACnD;aACJ;SACJ;KACJ;IAED,IAAI,IAAI,CAAC,SAAS,CAAC,SAAS,GAAG,CAAC,EAAE;QACxB,IAAA,KAAe,IAAI,CAAC,SAAS,EAA3B,EAAE,QAAA,EAAE,IAAI,UAAmB,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC3C,IAAM,GAAG,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YACxB,IAAI,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC;gBAAE,SAAS;YAC3B,IAAM,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YAC5B,IAAI,mBAAmB,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;gBAC9B,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,mBAAmB,CAAC,GAAG,CAAC,GAAG,CAAE,CAAC,CAAC;aAC/C;iBAAM,IAAI,eAAe,CAAC,KAAK,EAAE,GAAG,CAAC,uBAA4B,EAAE;gBAChE,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,0BAA0B,CAAC,CAAC;aAC5C;SACJ;KACJ;SAAM;QACH,IAAM,aAAW,GAAG,uBAAuB,CAAC,IAAI,CAAC,CAAC;QAClD,mBAAmB,CAAC,OAAO,CAAC,UAAC,CAAC,EAAE,CAAC;YAC7B,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,aAAW,CAAC,GAAG,CAAC,CAAC,CAAC;gBAAE,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QACzD,CAAC,CAAC,CAAC;KACN;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,IAAM,uBAAuB,GAAG,QAAQ,CAAC,UAAC,IAAe;IACrD,IAAM,WAAW,GAAG,IAAI,GAAG,EAAU,CAAC;IAChC,IAAA,KAAkC,IAAI,CAAC,SAAS,EAA9C,aAAa,mBAAA,EAAE,YAAY,kBAAmB,CAAC;IACvD,IAAM,OAAO,GAAG,aAAa,CAAC,SAAS,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,YAAY,CAAC;IACvE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,OAAO,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAChD,WAAW,CAAC,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;KACrC;IACD,OAAO,WAAW,CAAC;AACvB,CAAC,CAAC,CAAC;AAGH,SAAS,gBAAgB,CAAC,IAAe;IACrC,IAAM,GAAG,GAAG,IAAI,GAAG,EAAsB,CAAC;IAEpC,IAAA,KAAmD,IAAI,CAAC,SAAS,EAA/D,aAAa,mBAAA,EAAE,YAAY,kBAAA,EAAE,eAAe,qBAAmB,CAAC;IACxE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,aAAa,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QACtD,IAAM,EAAE,GAAG,aAAa,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAClC,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE;YACd,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE;gBACR,EAAE,IAAA;gBACF,OAAO,EAAE,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;gBAC9B,SAAS,EAAE,eAAe,CAAC,KAAK,CAAC,CAAC,CAAC;aACtC,CAAC,CAAC;SACN;KACJ;IAED,IAAI,IAAI,CAAC,WAAW,CAAC,SAAS,GAAG,CAAC,EAAE;QAC1B,IAAA,KAAoB,IAAI,CAAC,WAAW,EAAlC,EAAE,QAAA,EAAE,SAAS,eAAqB,CAAC;QAC3C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC3C,IAAM,GAAG,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YACxB,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;gBACf,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE;oBACT,EAAE,EAAE,GAAG;oBACP,OAAO,EAAE,EAAE;oBACX,SAAS,EAAE,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC;iBAChC,CAAC,CAAC;aACN;SACJ;KACJ;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,MAAM,UAAU,aAAa,CAAC,IAAe;IACzC,OAAO;QACH,eAAe,EAAE,kBAAkB,CAAC,IAAI,CAAC;QACzC,oBAAoB,EAAE,uBAAuB,CAAC,IAAI,CAAC;QACnD,sBAAsB,EAAE,yBAAyB,CAAC,IAAI,CAAC;QACvD,aAAa,EAAE,gBAAgB,CAAC,IAAI,CAAC;KACxC,CAAC;AACN,CAAC"}
|
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@@ -69,8 +69,8 @@ export declare const BasicSchema: {
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};
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entity_poly: {
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|
entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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-
nstd_linkage: import("../../../mol-data/db/column").Column.Schema.Aliased<"
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-
nstd_monomer: import("../../../mol-data/db/column").Column.Schema.Aliased<"
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+
nstd_linkage: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
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+
nstd_monomer: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"other" | "polypeptide(D)" | "polypeptide(L)" | "polydeoxyribonucleotide" | "polyribonucleotide" | "polydeoxyribonucleotide/polyribonucleotide hybrid" | "cyclic-pseudo-peptide" | "peptide nucleic acid">;
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pdbx_strand_id: import("../../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_seq_one_letter_code: import("../../../mol-data/db/column").Column.Schema.Str;
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@@ -79,7 +79,7 @@ export declare const BasicSchema: {
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};
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|
entity_poly_seq: {
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|
entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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|
-
hetero: import("../../../mol-data/db/column").Column.Schema.Aliased<"
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|
+
hetero: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
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|
mon_id: import("../../../mol-data/db/column").Column.Schema.Str;
|
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84
|
num: import("../../../mol-data/db/column").Column.Schema.Int;
|
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85
85
|
};
|
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@@ -92,7 +92,7 @@ export declare const BasicSchema: {
|
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|
92
92
|
formula: import("../../../mol-data/db/column").Column.Schema.Str;
|
|
93
93
|
formula_weight: import("../../../mol-data/db/column").Column.Schema.Float;
|
|
94
94
|
id: import("../../../mol-data/db/column").Column.Schema.Str;
|
|
95
|
-
mon_nstd_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"
|
|
95
|
+
mon_nstd_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
96
96
|
name: import("../../../mol-data/db/column").Column.Schema.Str;
|
|
97
97
|
pdbx_synonyms: import("../../../mol-data/db/column").Column.Schema.List<string>;
|
|
98
98
|
};
|
|
@@ -23,7 +23,7 @@ export declare class ComponentBuilder {
|
|
|
23
23
|
formula: Column.Schema.Str;
|
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24
24
|
formula_weight: Column.Schema.Float;
|
|
25
25
|
id: Column.Schema.Str;
|
|
26
|
-
mon_nstd_flag: Column.Schema.Aliased<"
|
|
26
|
+
mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
27
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|
name: Column.Schema.Str;
|
|
28
28
|
pdbx_synonyms: Column.Schema.List<string>;
|
|
29
29
|
}, "id" | "type" | "name">> | undefined;
|
|
@@ -32,7 +32,7 @@ export declare class ComponentBuilder {
|
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|
32
32
|
formula: Column.Schema.Str;
|
|
33
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|
formula_weight: Column.Schema.Float;
|
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34
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|
id: Column.Schema.Str;
|
|
35
|
-
mon_nstd_flag: Column.Schema.Aliased<"
|
|
35
|
+
mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
36
36
|
name: Column.Schema.Str;
|
|
37
37
|
pdbx_synonyms: Column.Schema.List<string>;
|
|
38
38
|
}, "id" | "type" | "name">>;
|
|
@@ -41,7 +41,7 @@ export declare class ComponentBuilder {
|
|
|
41
41
|
formula: Column.Schema.Str;
|
|
42
42
|
formula_weight: Column.Schema.Float;
|
|
43
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|
id: Column.Schema.Str;
|
|
44
|
-
mon_nstd_flag: Column.Schema.Aliased<"
|
|
44
|
+
mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
45
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|
name: Column.Schema.Str;
|
|
46
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|
pdbx_synonyms: Column.Schema.List<string>;
|
|
47
47
|
}>;
|
|
@@ -19,7 +19,7 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
19
19
|
}
|
|
20
20
|
EntityBuilder.prototype.set = function (type, description) {
|
|
21
21
|
this.count += 1;
|
|
22
|
-
this.ids.push(""
|
|
22
|
+
this.ids.push("".concat(this.count));
|
|
23
23
|
this.types.push(type);
|
|
24
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|
this.descriptions.push([description]);
|
|
25
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|
};
|
|
@@ -27,7 +27,7 @@ var EntityBuilder = /** @class */ (function () {
|
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|
27
27
|
if (moleculeType === 2 /* Water */) {
|
|
28
28
|
if (this.waterId === undefined) {
|
|
29
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|
this.set('water', (options === null || options === void 0 ? void 0 : options.customName) || 'Water');
|
|
30
|
-
this.waterId = ""
|
|
30
|
+
this.waterId = "".concat(this.count);
|
|
31
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|
}
|
|
32
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|
return this.waterId;
|
|
33
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|
}
|
|
@@ -37,8 +37,8 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
37
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|
}
|
|
38
38
|
else {
|
|
39
39
|
if (!this.chainMap.has(chainId)) {
|
|
40
|
-
this.set('polymer', (options === null || options === void 0 ? void 0 : options.customName) || "Polymer "
|
|
41
|
-
this.chainMap.set(chainId, ""
|
|
40
|
+
this.set('polymer', (options === null || options === void 0 ? void 0 : options.customName) || "Polymer ".concat(this.chainMap.size + 1));
|
|
41
|
+
this.chainMap.set(chainId, "".concat(this.count));
|
|
42
42
|
}
|
|
43
43
|
return this.chainMap.get(chainId);
|
|
44
44
|
}
|
|
@@ -46,7 +46,7 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
46
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|
else {
|
|
47
47
|
if (!this.heteroMap.has(compId)) {
|
|
48
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|
this.set('non-polymer', (options === null || options === void 0 ? void 0 : options.customName) || this.namesMap.get(compId) || compId);
|
|
49
|
-
this.heteroMap.set(compId, ""
|
|
49
|
+
this.heteroMap.set(compId, "".concat(this.count));
|
|
50
50
|
}
|
|
51
51
|
return this.heteroMap.get(compId);
|
|
52
52
|
}
|
|
@@ -63,7 +63,7 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
63
63
|
var _a = compounds[i], chains = _a.chains, description = _a.description;
|
|
64
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|
this.set('polymer', description);
|
|
65
65
|
for (var j = 0, jl = chains.length; j < jl; ++j) {
|
|
66
|
-
this.compoundsMap.set(chains[j], ""
|
|
66
|
+
this.compoundsMap.set(chains[j], "".concat(this.count));
|
|
67
67
|
}
|
|
68
68
|
}
|
|
69
69
|
};
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/common/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAgB,SAAS,EAAE,MAAM,0CAA0C,CAAC;AACnF,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AACrD,OAAO,EAAE,WAAW,EAAE,MAAM,iBAAiB,CAAC;AAO9C;IAAA;QACY,UAAK,GAAG,CAAC,CAAA;QACT,QAAG,GAAa,EAAE,CAAA;QAClB,UAAK,GAAiB,EAAE,CAAA;QACxB,iBAAY,GAAe,EAAE,CAAA;QAE7B,iBAAY,GAAG,IAAI,GAAG,EAAkB,CAAA;QACxC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;QACpC,cAAS,GAAG,IAAI,GAAG,EAAkB,CAAA;QACrC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;IAyDhD,CAAC;IAtDW,2BAAG,GAAX,UAAY,IAAgB,EAAE,WAAmB;QAC7C,IAAI,CAAC,KAAK,IAAI,CAAC,CAAC;QAChB,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,
|
|
1
|
+
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/common/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAgB,SAAS,EAAE,MAAM,0CAA0C,CAAC;AACnF,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AACrD,OAAO,EAAE,WAAW,EAAE,MAAM,iBAAiB,CAAC;AAO9C;IAAA;QACY,UAAK,GAAG,CAAC,CAAA;QACT,QAAG,GAAa,EAAE,CAAA;QAClB,UAAK,GAAiB,EAAE,CAAA;QACxB,iBAAY,GAAe,EAAE,CAAA;QAE7B,iBAAY,GAAG,IAAI,GAAG,EAAkB,CAAA;QACxC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;QACpC,cAAS,GAAG,IAAI,GAAG,EAAkB,CAAA;QACrC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;IAyDhD,CAAC;IAtDW,2BAAG,GAAX,UAAY,IAAgB,EAAE,WAAmB;QAC7C,IAAI,CAAC,KAAK,IAAI,CAAC,CAAC;QAChB,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;QAC/B,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QACtB,IAAI,CAAC,YAAY,CAAC,IAAI,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC;IAC1C,CAAC;IAED,mCAAW,GAAX,UAAY,MAAc,EAAE,YAA0B,EAAE,OAAe,EAAE,OAAiC;QACtG,IAAI,YAAY,kBAAuB,EAAE;YACrC,IAAI,IAAI,CAAC,OAAO,KAAK,SAAS,EAAE;gBAC5B,IAAI,CAAC,GAAG,CAAC,OAAO,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,OAAO,CAAC,CAAC;gBAClD,IAAI,CAAC,OAAO,GAAG,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC;aAClC;YACD,OAAO,IAAI,CAAC,OAAO,CAAC;SACvB;aAAM,IAAI,SAAS,CAAC,YAAY,CAAC,EAAE;YAChC,IAAI,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE;gBAChC,OAAO,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,OAAO,CAAE,CAAC;aAC1C;iBAAM;gBACH,IAAI,CAAC,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE;oBAC7B,IAAI,CAAC,GAAG,CAAC,SAAS,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,kBAAW,IAAI,CAAC,QAAQ,CAAC,IAAI,GAAG,CAAC,CAAE,CAAC,CAAC;oBAChF,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;iBAC/C;gBACD,OAAO,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAE,CAAC;aACtC;SACJ;aAAM;YACH,IAAI,CAAC,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE;gBAC7B,IAAI,CAAC,GAAG,CAAC,aAAa,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,MAAM,CAAC,CAAC;gBACpF,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;aAC/C;YACD,OAAO,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,CAAE,CAAC;SACtC;IACL,CAAC;IAED,sCAAc,GAAd;QACI,OAAO,KAAK,CAAC,gBAAgB,CAAC,WAAW,CAAC,MAAM,EAAE;YAC9C,EAAE,EAAE,MAAM,CAAC,aAAa,CAAC,IAAI,CAAC,GAAG,CAAC;YAClC,IAAI,EAAE,MAAM,CAAC,kBAAkB,CAAC,IAAI,CAAC,KAAK,CAAC;YAC3C,gBAAgB,EAAE,MAAM,CAAC,iBAAiB,CAAC,IAAI,CAAC,YAAY,CAAC;SAChE,EAAE,IAAI,CAAC,KAAK,CAAC,CAAC;IACnB,CAAC;IAED,oCAAY,GAAZ,UAAa,SAA2B;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC1C,IAAA,KAA0B,SAAS,CAAC,CAAC,CAAC,EAApC,MAAM,YAAA,EAAE,WAAW,iBAAiB,CAAC;YAC7C,IAAI,CAAC,GAAG,CAAC,SAAS,EAAE,WAAW,CAAC,CAAC;YACjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAC7C,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;aACrD;SACJ;IACL,CAAC;IAED,gCAAQ,GAAR,UAAS,KAAyB;QAAlC,iBAEC;QADG,KAAK,CAAC,OAAO,CAAC,UAAA,CAAC,IAAI,OAAA,KAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,EAA7B,CAA6B,CAAC,CAAC;IACtD,CAAC;IACL,oBAAC;AAAD,CAAC,AAlED,IAkEC"}
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@@ -50,7 +50,7 @@ export function parseRemark350(lines, lineStart, lineEnd) {
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var line = getLine(i);
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51
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if (line.substr(11, 12) === 'BIOMOLECULE:') {
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|
var id = line.substr(23).trim();
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-
var details = "Biomolecule "
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+
var details = "Biomolecule ".concat(id);
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|
line = getLine(i + 1);
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if (line.substr(11, 30) !== 'APPLY THE FOLLOWING TO CHAINS:') {
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56
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i++;
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@@ -86,7 +86,7 @@ export function parseRemark350(lines, lineStart, lineEnd) {
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}
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else if (line.substr(11, 33) === 'APPLYING THE FOLLOWING TO CHAINS:') {
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|
// variant in older PDB format version
|
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89
|
-
current = PdbAssembly(""
|
|
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|
+
current = PdbAssembly("".concat(asmId), "Biomolecule ".concat(asmId));
|
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90
|
assemblies.push(current);
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91
|
asmId += 1;
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|
group = { chains: [], operators: [] };
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@@ -143,9 +143,9 @@ export function parseRemark350(lines, lineStart, lineEnd) {
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};
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for (var i = 0; i < 3; i++) {
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for (var j = 0; j < 3; j++) {
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|
-
row["matrix["
|
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|
+
row["matrix[".concat(i + 1, "][").concat(j + 1, "]")] = '' + Mat4.getValue(oper.matrix, i, j);
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147
|
}
|
|
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|
-
row["vector["
|
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|
+
row["vector[".concat(i + 1, "]")] = '' + Mat4.getValue(oper.matrix, i, 3);
|
|
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149
|
}
|
|
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150
|
pdbx_struct_oper_list_rows.push(row);
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|
}
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@@ -159,13 +159,13 @@ export function parseRemark350(lines, lineStart, lineEnd) {
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159
|
};
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160
|
var _loop_1 = function (i) {
|
|
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|
var _loop_2 = function (j) {
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|
-
var k_1 = "matrix["
|
|
162
|
+
var k_1 = "matrix[".concat(i + 1, "][").concat(j + 1, "]");
|
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163
163
|
pdbx_struct_oper_list[k_1] = CifField.ofStrings(pdbx_struct_oper_list_rows.map(function (r) { return r[k_1]; }));
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164
|
};
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165
|
for (var j = 0; j < 3; j++) {
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|
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166
|
_loop_2(j);
|
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167
|
}
|
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168
|
-
var k = "vector["
|
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168
|
+
var k = "vector[".concat(i + 1, "]");
|
|
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169
|
pdbx_struct_oper_list[k] = CifField.ofStrings(pdbx_struct_oper_list_rows.map(function (r) { return r[k]; }));
|
|
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170
|
};
|
|
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171
|
for (var i = 0; i < 3; i++) {
|
|
@@ -207,9 +207,9 @@ export function parseMtrix(lines, lineStart, lineEnd) {
|
|
|
207
207
|
};
|
|
208
208
|
for (var i = 0; i < 3; i++) {
|
|
209
209
|
for (var j = 0; j < 3; j++) {
|
|
210
|
-
row["matrix["
|
|
210
|
+
row["matrix[".concat(i + 1, "][").concat(j + 1, "]")] = '' + Mat4.getValue(oper, i, j);
|
|
211
211
|
}
|
|
212
|
-
row["vector["
|
|
212
|
+
row["vector[".concat(i + 1, "]")] = '' + Mat4.getValue(oper, i, 3);
|
|
213
213
|
}
|
|
214
214
|
struct_ncs_oper_rows.push(row);
|
|
215
215
|
}
|
|
@@ -220,13 +220,13 @@ export function parseMtrix(lines, lineStart, lineEnd) {
|
|
|
220
220
|
};
|
|
221
221
|
var _loop_3 = function (i) {
|
|
222
222
|
var _loop_4 = function (j) {
|
|
223
|
-
var k_2 = "matrix["
|
|
223
|
+
var k_2 = "matrix[".concat(i + 1, "][").concat(j + 1, "]");
|
|
224
224
|
struct_ncs_oper[k_2] = CifField.ofStrings(struct_ncs_oper_rows.map(function (r) { return r[k_2]; }));
|
|
225
225
|
};
|
|
226
226
|
for (var j = 0; j < 3; j++) {
|
|
227
227
|
_loop_4(j);
|
|
228
228
|
}
|
|
229
|
-
var k = "vector["
|
|
229
|
+
var k = "vector[".concat(i + 1, "]");
|
|
230
230
|
struct_ncs_oper[k] = CifField.ofStrings(struct_ncs_oper_rows.map(function (r) { return r[k]; }));
|
|
231
231
|
};
|
|
232
232
|
for (var i = 0; i < 3; i++) {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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+
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/assembly.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,WAAW,EAAE,QAAQ,EAAE,MAAM,4BAA4B,CAAC;AAEnE,OAAO,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AAGxD,MAAM,UAAU,WAAW,CAAC,EAAU,EAAE,MAAc;IAClD,wCAAwC;IACxC,mFAAmF;IACnF,wCAAwC;IACxC,6CAA6C;IAC7C,6CAA6C;IAC7C,6CAA6C;IAC7C,+CAA+C;IAC/C,8CAA8C;IAC9C,+CAA+C;IAC/C,2CAA2C;IAC3C,uCAAuC;IAEvC,IAAM,GAAG,GAAG,UAAC,CAAS,EAAE,CAAS,IAAK,OAAA,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAlC,CAAkC,CAAC;IAEzE,IAAM,IAAI,GAA6C;QACnD,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;QAC/B,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QACtC,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACvC,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACvC,WAAW,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QAC1C,UAAU,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACzC,WAAW,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QAC1C,KAAK,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACpC,gBAAgB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;KAC3C,CAAC;IACF,IAAM,QAAQ,GAAiD;QAC3D,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;QAC/B,sBAAsB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;QACtD,iBAAiB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;QACzC,YAAY,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;QACpC,qBAAqB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;KAChD,CAAC;IACF,OAAO,CAAC,WAAW,CAAC,QAAQ,CAAC,MAAM,EAAE,IAAI,CAAC,EAAE,WAAW,CAAC,QAAQ,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AAC5F,CAAC;AAQD,SAAS,WAAW,CAAC,EAAU,EAAE,OAAe;IAC5C,OAAO,EAAE,EAAE,IAAA,EAAE,OAAO,SAAA,EAAE,MAAM,EAAE,EAAE,EAAE,CAAC;AACvC,CAAC;AAED,MAAM,UAAU,cAAc,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IAC5E,IAAM,UAAU,GAAkB,EAAE,CAAC;IAErC,sBAAsB;IACtB,IAAI,OAAoB,EAAE,KAA+B,EAAE,MAAY,EAAE,MAAM,GAAG,CAAC,EAAE,KAAK,GAAG,CAAC,CAAC;IAC/F,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IACpG,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACtB,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,cAAc,EAAE;YACxC,IAAM,EAAE,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;YAClC,IAAI,OAAO,GAAG,sBAAe,EAAE,CAAE,CAAC;YAClC,IAAI,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;YACtB,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC,EAAE;gBAC1D,CAAC,EAAE,CAAC;gBACJ,OAAO,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;aACpC;YACD,OAAO,GAAG,WAAW,CAAC,EAAE,EAAE,OAAO,CAAC,CAAC;YACnC,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;SAC5B;aAAM,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,OAAO,EAAE;YACvC,IAAM,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;YAChC,IAAM,GAAG,GAAG,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC;YAEnC,IAAI,GAAG,KAAK,CAAC,EAAE;gBACX,MAAM,GAAG,IAAI,CAAC,QAAQ,EAAE,CAAC;gBACzB,KAAM,CAAC,SAAS,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,MAAM,EAAE,EAAE,MAAM,QAAA,EAAE,CAAC,CAAC;aACnD;YAED,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IACH,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC;YACxD,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC,EAAE;YAE1D,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,OAAO,EAAE;gBAChC,KAAK,GAAG,EAAE,MAAM,EAAE,EAAE,EAAE,SAAS,EAAE,EAAE,EAAE,CAAC;gBACtC,OAAQ,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;aAC/B;YAED,IAAM,SAAS,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;YACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAChD,IAAM,CAAC,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;gBAC9B,IAAI,CAAC;oBAAE,KAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aAChC;SACJ;aAAM,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,mCAAmC,EAAE;YACpE,sCAAsC;YACtC,OAAO,GAAG,WAAW,CAAC,UAAG,KAAK,CAAE,EAAE,sBAAe,KAAK,CAAE,CAAC,CAAC;YAC1D,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;YACzB,KAAK,IAAI,CAAC,CAAC;YAEX,KAAK,GAAG,EAAE,MAAM,EAAE,EAAE,EAAE,SAAS,EAAE,EAAE,EAAE,CAAC;YACtC,OAAQ,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;YAE5B,CAAC,EAAE,CAAC;YACJ,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;YAElB,IAAM,SAAS,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;YACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAChD,IAAM,CAAC,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;gBAC9B,IAAI,CAAC;oBAAE,KAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aAChC;SACJ;KACJ;IAED,IAAI,UAAU,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IAEvC,eAAe;IAEf,uBAAuB;IACvB,IAAM,oBAAoB,GAAiE;QACvF,EAAE,EAAE,QAAQ,CAAC,SAAS,CAAC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|
|
@@ -41,7 +41,7 @@ export function parseConect(lines, lineStart, lineEnd, sites) {
|
|
|
41
41
|
// as double/triple bonds, e.g. CONECT 1529 1528 1528 is a double bond
|
|
42
42
|
if (bondIndex[idxB] !== undefined)
|
|
43
43
|
continue;
|
|
44
|
-
id.push("covale"
|
|
44
|
+
id.push("covale".concat(k));
|
|
45
45
|
conn_type_id.push('covale');
|
|
46
46
|
ptnr1_label_asym_id.push(sites.label_asym_id.str(idxA));
|
|
47
47
|
ptnr1_auth_seq_id.push(sites.auth_seq_id.int(idxA));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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