molstar 3.3.0 → 3.5.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +202 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/viewport.js +1 -1
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +2 -0
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- package/lib/commonjs/apps/docking-viewer/index.js +12 -12
- package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +24 -22
- package/lib/commonjs/apps/viewer/index.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
- package/lib/commonjs/cli/cif2bcif/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js +27 -27
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/index.js +2 -2
- package/lib/commonjs/cli/structure-info/helpers.js +11 -11
- package/lib/commonjs/cli/structure-info/model.js +15 -15
- package/lib/commonjs/cli/structure-info/volume.js +9 -9
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
- package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
- package/lib/commonjs/examples/lighting/index.js +6 -6
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
- package/lib/commonjs/examples/task.js +15 -15
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
- package/lib/commonjs/extensions/anvil/behavior.js +14 -14
- package/lib/commonjs/extensions/anvil/prop.js +7 -7
- package/lib/commonjs/extensions/anvil/representation.js +5 -5
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +26 -24
- package/lib/commonjs/extensions/cellpack/preset.js +6 -6
- package/lib/commonjs/extensions/cellpack/property.js +3 -3
- package/lib/commonjs/extensions/cellpack/representation.js +2 -2
- package/lib/commonjs/extensions/cellpack/state.js +13 -13
- package/lib/commonjs/extensions/cellpack/util.js +14 -14
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/commonjs/extensions/g3d/data.js +6 -6
- package/lib/commonjs/extensions/g3d/format.js +14 -14
- package/lib/commonjs/extensions/g3d/model.js +4 -4
- package/lib/commonjs/extensions/geo-export/controls.js +3 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
- package/lib/commonjs/extensions/geo-export/index.js +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/ui.js +7 -7
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
- package/lib/commonjs/extensions/model-export/export.js +4 -4
- package/lib/commonjs/extensions/model-export/index.js +1 -1
- package/lib/commonjs/extensions/model-export/ui.js +5 -5
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
- package/lib/commonjs/extensions/mp4-export/index.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -5
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera.js +2 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
- package/lib/commonjs/mol-canvas3d/util.js +2 -2
- package/lib/commonjs/mol-data/db/column.js +2 -2
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db.js +1 -1
- package/lib/commonjs/mol-data/generic.js +3 -3
- package/lib/commonjs/mol-data/index.js +4 -4
- package/lib/commonjs/mol-data/int/interval.js +1 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
- package/lib/commonjs/mol-data/int/segmentation.js +1 -1
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
- package/lib/commonjs/mol-data/util.js +7 -7
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/util.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.js +3 -3
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.js +3 -3
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.js +3 -3
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +2 -1
- package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +5 -5
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
- package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
- package/lib/commonjs/mol-io/common/typed-array.js +2 -2
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
- package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cif.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
- package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
- package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
- package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
- package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
- package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
- package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
- package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
- package/lib/commonjs/mol-io/writer/cif.js +1 -1
- package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
- package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
- package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/common.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
- package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
- package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
- package/lib/commonjs/mol-math/geometry.js +8 -8
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
- package/lib/commonjs/mol-math/graph.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra.js +2 -2
- package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
- package/lib/commonjs/mol-model/sequence.js +1 -1
- package/lib/commonjs/mol-model/shape.js +1 -1
- package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/commonjs/mol-model/structure/model/model.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
- package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
- package/lib/commonjs/mol-model/structure/model.js +3 -3
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
- package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
- package/lib/commonjs/mol-model/structure/query.js +6 -6
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js +9 -6
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit.js +5 -22
- package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
- package/lib/commonjs/mol-model/structure/structure.js +2 -2
- package/lib/commonjs/mol-model/structure/topology.js +1 -1
- package/lib/commonjs/mol-model/structure.js +6 -6
- package/lib/commonjs/mol-model/volume.js +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
- package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
- package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
- package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/top.js +189 -0
- package/lib/commonjs/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/trr.js +46 -0
- package/lib/commonjs/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/util.js +19 -20
- package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -5
- package/lib/commonjs/mol-model-props/common/custom-property.js +1 -1
- package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -6
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -2
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -5
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -4
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -3
- package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -2
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/features.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions.js +4 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +10 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +12 -7
- package/lib/commonjs/mol-model-props/computed/representations/interactions.js +1 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -2
- package/lib/commonjs/mol-model-props/computed/secondary-structure.js +7 -7
- package/lib/commonjs/mol-model-props/computed/valence-model.js +4 -4
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/property.js +2 -2
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +12 -3
- package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +2 -2
- package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -3
- package/lib/commonjs/mol-plugin/animation-loop.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/behavior.js +5 -5
- package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/structure-info.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +3 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +11 -11
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +12 -12
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +16 -16
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +10 -10
- package/lib/commonjs/mol-plugin/behavior/static/state.js +6 -6
- package/lib/commonjs/mol-plugin/behavior.js +8 -8
- package/lib/commonjs/mol-plugin/command.js +2 -2
- package/lib/commonjs/mol-plugin/context.d.ts +2 -1
- package/lib/commonjs/mol-plugin/context.js +9 -8
- package/lib/commonjs/mol-plugin/layout.js +2 -2
- package/lib/commonjs/mol-plugin/spec.js +1 -1
- package/lib/commonjs/mol-plugin/state.js +5 -5
- package/lib/commonjs/mol-plugin/util/task-manager.js +4 -4
- package/lib/commonjs/mol-plugin/util/toast.js +1 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +17 -17
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/file.js +94 -61
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/commonjs/mol-plugin-state/actions/structure.js +190 -20
- package/lib/commonjs/mol-plugin-state/actions/volume.js +5 -4
- package/lib/commonjs/mol-plugin-state/actions.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/assembly-unwind.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/explode-units.js +4 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/spin-structure.js +5 -5
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-interpolation.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +5 -5
- package/lib/commonjs/mol-plugin-state/builder/data.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +16 -16
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +28 -28
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure.js +7 -7
- package/lib/commonjs/mol-plugin-state/component.js +1 -1
- package/lib/commonjs/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/commonjs/mol-plugin-state/formats/coordinates.js +70 -0
- package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/formats/registry.js +13 -8
- package/lib/commonjs/mol-plugin-state/formats/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/commonjs/mol-plugin-state/formats/topology.js +87 -0
- package/lib/commonjs/mol-plugin-state/formats/trajectory.js +6 -6
- package/lib/commonjs/mol-plugin-state/formats/volume.js +21 -21
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.js +15 -15
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +7 -7
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +3 -3
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +11 -11
- package/lib/commonjs/mol-plugin-state/manager/animation.js +17 -17
- package/lib/commonjs/mol-plugin-state/manager/camera.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js +6 -6
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +14 -14
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +26 -26
- package/lib/commonjs/mol-plugin-state/manager/structure/focus.js +2 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.js +8 -8
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +21 -21
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -3
- package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy.js +1 -1
- package/lib/commonjs/mol-plugin-state/objects.d.ts +47 -1
- package/lib/commonjs/mol-plugin-state/objects.js +46 -30
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/commonjs/mol-plugin-state/transforms/data.js +93 -41
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/commonjs/mol-plugin-state/transforms/model.js +163 -54
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +77 -77
- package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/transforms/volume.js +16 -16
- package/lib/commonjs/mol-plugin-state/transforms.js +6 -6
- package/lib/commonjs/mol-plugin-ui/base.js +5 -5
- package/lib/commonjs/mol-plugin-ui/context.js +1 -1
- package/lib/commonjs/mol-plugin-ui/controls/action-menu.js +14 -14
- package/lib/commonjs/mol-plugin-ui/controls/color.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/common.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/commonjs/mol-plugin-ui/controls/legend.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/line-graph-component.js +3 -3
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/point-component.js +2 -2
- package/lib/commonjs/mol-plugin-ui/controls/parameters.js +94 -94
- package/lib/commonjs/mol-plugin-ui/controls/screenshot.js +5 -5
- package/lib/commonjs/mol-plugin-ui/controls/slider.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls.js +16 -16
- package/lib/commonjs/mol-plugin-ui/custom/volume.js +16 -16
- package/lib/commonjs/mol-plugin-ui/index.js +4 -4
- package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/commonjs/mol-plugin-ui/left-panel.js +40 -19
- package/lib/commonjs/mol-plugin-ui/plugin.js +17 -17
- package/lib/commonjs/mol-plugin-ui/sequence/chain.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/element.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/hetero.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +6 -6
- package/lib/commonjs/mol-plugin-ui/sequence.js +9 -9
- package/lib/commonjs/mol-plugin-ui/spec.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/actions.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/animation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/apply-action.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/common.js +12 -12
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +29 -29
- package/lib/commonjs/mol-plugin-ui/state/tree.js +19 -19
- package/lib/commonjs/mol-plugin-ui/state/update-transform.js +3 -3
- package/lib/commonjs/mol-plugin-ui/structure/components.js +19 -19
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +4 -4
- package/lib/commonjs/mol-plugin-ui/structure/generic.js +6 -6
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +11 -11
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/source.js +12 -12
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +20 -20
- package/lib/commonjs/mol-plugin-ui/structure/volume.js +12 -12
- package/lib/commonjs/mol-plugin-ui/task.js +8 -8
- package/lib/commonjs/mol-plugin-ui/toast.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport/canvas.js +5 -5
- package/lib/commonjs/mol-plugin-ui/viewport/help.js +14 -14
- package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +8 -8
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport.js +7 -7
- package/lib/commonjs/mol-repr/representation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/angle.js +9 -9
- package/lib/commonjs/mol-repr/shape/loci/common.js +1 -1
- package/lib/commonjs/mol-repr/shape/loci/dihedral.js +14 -14
- package/lib/commonjs/mol-repr/shape/loci/distance.js +5 -5
- package/lib/commonjs/mol-repr/shape/loci/label.js +3 -3
- package/lib/commonjs/mol-repr/shape/loci/orientation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -2
- package/lib/commonjs/mol-repr/shape/model/unitcell.js +2 -2
- package/lib/commonjs/mol-repr/shape/representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-visual.js +12 -12
- package/lib/commonjs/mol-repr/structure/params.js +8 -8
- package/lib/commonjs/mol-repr/structure/registry.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/backbone.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/orientation.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/point.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/putty.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/spacefill.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/units-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/units-visual.js +16 -16
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +21 -11
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +11 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +17 -7
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +9 -4
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +11 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +11 -2
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.js +23 -4
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +8 -9
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +20 -20
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +7 -8
- package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +6 -6
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +7 -7
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -28
- package/lib/commonjs/mol-repr/structure/visual/util/element.js +36 -2
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +13 -13
- package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +55 -6
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +5 -5
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +4 -4
- package/lib/commonjs/mol-repr/util.js +1 -1
- package/lib/commonjs/mol-repr/volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-repr/volume/isosurface.js +9 -9
- package/lib/commonjs/mol-repr/volume/registry.js +1 -1
- package/lib/commonjs/mol-repr/volume/representation.js +5 -5
- package/lib/commonjs/mol-repr/volume/slice.js +4 -4
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-script/language/parser.js +7 -4
- package/lib/commonjs/mol-script/language/symbol-table/internal.js +1 -1
- package/lib/commonjs/mol-script/language/symbol-table/structure-query.js +1 -1
- package/lib/commonjs/mol-script/runtime/query/compiler.js +1 -1
- package/lib/commonjs/mol-script/script/mol-script/symbols.js +1 -1
- package/lib/commonjs/mol-state/action.js +1 -1
- package/lib/commonjs/mol-state/index.js +8 -8
- package/lib/commonjs/mol-state/state/builder.js +2 -2
- package/lib/commonjs/mol-state/state/selection.js +1 -1
- package/lib/commonjs/mol-state/state.js +21 -21
- package/lib/commonjs/mol-state/transform.js +4 -4
- package/lib/commonjs/mol-state/transformer.js +1 -1
- package/lib/commonjs/mol-task/execution/observable.js +5 -5
- package/lib/commonjs/mol-task/task.js +3 -3
- package/lib/commonjs/mol-task/util/chunked.js +2 -2
- package/lib/commonjs/mol-task/util/multistep.js +1 -1
- package/lib/commonjs/mol-task/util/scheduler.d.ts +2 -2
- package/lib/commonjs/mol-task/util/scheduler.js +8 -8
- package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
- package/lib/commonjs/mol-theme/color/chain-id.js +1 -1
- package/lib/commonjs/mol-theme/color/element-index.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-source.js +2 -2
- package/lib/commonjs/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/commonjs/mol-theme/color/model-index.js +1 -1
- package/lib/commonjs/mol-theme/color/operator-hkl.js +2 -2
- package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
- package/lib/commonjs/mol-theme/color/polymer-id.js +2 -2
- package/lib/commonjs/mol-theme/color/polymer-index.js +2 -2
- package/lib/commonjs/mol-theme/color/unit-index.js +2 -2
- package/lib/commonjs/mol-theme/label.js +6 -6
- package/lib/commonjs/mol-theme/theme.js +3 -3
- package/lib/commonjs/mol-util/assets.js +7 -7
- package/lib/commonjs/mol-util/color/distinct.js +1 -1
- package/lib/commonjs/mol-util/color/palette.js +3 -3
- package/lib/commonjs/mol-util/color/scale.js +2 -2
- package/lib/commonjs/mol-util/data-source.js +14 -13
- package/lib/commonjs/mol-util/file-info.d.ts +1 -3
- package/lib/commonjs/mol-util/file-info.js +2 -10
- package/lib/commonjs/mol-util/graphql-client.js +4 -4
- package/lib/commonjs/mol-util/index.d.ts +1 -0
- package/lib/commonjs/mol-util/index.js +8 -2
- package/lib/commonjs/mol-util/input/input-observer.js +6 -6
- package/lib/commonjs/mol-util/make-dir.js +1 -1
- package/lib/commonjs/mol-util/material.js +2 -2
- package/lib/commonjs/mol-util/monadic-parser.js +2 -2
- package/lib/commonjs/mol-util/param-definition.js +7 -7
- package/lib/commonjs/mol-util/read.js +2 -2
- package/lib/commonjs/mol-util/retry-if.js +2 -2
- package/lib/commonjs/mol-util/string.js +1 -1
- package/lib/commonjs/mol-util/zip/deflate.js +4 -3
- package/lib/commonjs/mol-util/zip/inflate.js +2 -2
- package/lib/commonjs/mol-util/zip/zip.d.ts +7 -1
- package/lib/commonjs/mol-util/zip/zip.js +21 -16
- package/lib/commonjs/servers/common/file-handle.js +1 -1
- package/lib/commonjs/servers/common/swagger-ui/index.js +1 -1
- package/lib/commonjs/servers/model/config.d.ts +2 -2
- package/lib/commonjs/servers/model/config.js +5 -5
- package/lib/commonjs/servers/model/preprocess/converter.js +2 -2
- package/lib/commonjs/servers/model/preprocess/master.js +3 -3
- package/lib/commonjs/servers/model/preprocess/parallel.js +6 -6
- package/lib/commonjs/servers/model/preprocess/preprocess.js +4 -4
- package/lib/commonjs/servers/model/preprocess.js +1 -1
- package/lib/commonjs/servers/model/properties/providers/pdbe.js +8 -8
- package/lib/commonjs/servers/model/properties/providers/wwpdb.js +12 -12
- package/lib/commonjs/servers/model/property-provider.js +3 -3
- package/lib/commonjs/servers/model/query.js +1 -1
- package/lib/commonjs/servers/model/server/api-local.js +2 -2
- package/lib/commonjs/servers/model/server/api-schema.js +2 -2
- package/lib/commonjs/servers/model/server/api-web.js +5 -5
- package/lib/commonjs/servers/model/server/api.js +6 -6
- package/lib/commonjs/servers/model/server/query.js +15 -15
- package/lib/commonjs/servers/model/server/structure-wrapper.js +21 -21
- package/lib/commonjs/servers/model/server.js +2 -2
- package/lib/commonjs/servers/model/utils/fetch-props-pdbe.js +6 -6
- package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -3
- package/lib/commonjs/servers/model/utils/writer.js +3 -3
- package/lib/commonjs/servers/plugin-state/config.js +1 -1
- package/lib/commonjs/servers/plugin-state/index.js +6 -6
- package/lib/commonjs/servers/volume/common/binary-schema.js +1 -1
- package/lib/commonjs/servers/volume/common/data-format.js +3 -3
- package/lib/commonjs/servers/volume/common/file.js +8 -8
- package/lib/commonjs/servers/volume/config.js +6 -6
- package/lib/commonjs/servers/volume/pack/format/ccp4.js +4 -4
- package/lib/commonjs/servers/volume/pack/format/dsn6.js +4 -4
- package/lib/commonjs/servers/volume/pack/format.js +3 -3
- package/lib/commonjs/servers/volume/pack/main.js +13 -13
- package/lib/commonjs/servers/volume/pack/sampling.js +13 -13
- package/lib/commonjs/servers/volume/pack/writer.js +2 -2
- package/lib/commonjs/servers/volume/pack.js +1 -1
- package/lib/commonjs/servers/volume/query.js +4 -4
- package/lib/commonjs/servers/volume/server/algebra/box.js +1 -1
- package/lib/commonjs/servers/volume/server/api.js +8 -8
- package/lib/commonjs/servers/volume/server/local-api.js +8 -8
- package/lib/commonjs/servers/volume/server/query/compose.js +8 -8
- package/lib/commonjs/servers/volume/server/query/execute.js +10 -10
- package/lib/commonjs/servers/volume/server/query/identify.js +2 -2
- package/lib/commonjs/servers/volume/server/web-api.js +7 -7
- package/lib/commonjs/servers/volume/server.js +2 -2
- package/lib/examples/alpha-orbitals/controls.js +2 -2
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/basic-wrapper/controls.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
- package/lib/extensions/cellpack/model.js +4 -2
- package/lib/extensions/cellpack/state.js +2 -2
- package/lib/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
- package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
- package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/extensions/geo-export/ui.js +2 -2
- package/lib/extensions/model-export/ui.js +2 -2
- package/lib/extensions/mp4-export/ui.js +2 -2
- package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -3
- package/lib/extensions/rcsb/validation-report/representation.js +19 -2
- package/lib/extensions/zenodo/index.d.ts +7 -0
- package/lib/extensions/zenodo/index.js +32 -0
- package/lib/extensions/zenodo/ui.d.ts +61 -0
- package/lib/extensions/zenodo/ui.js +303 -0
- package/lib/mol-canvas3d/camera.js +2 -1
- package/lib/mol-canvas3d/helper/camera-helper.js +1 -1
- package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/text/text-builder.js +2 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
- package/lib/mol-gl/shader-code.js +2 -1
- package/lib/mol-gl/webgl/buffer.js +2 -3
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-gl/webgl/context.js +2 -2
- package/lib/mol-io/common/binary-cif/classifier.js +3 -2
- package/lib/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/mol-io/common/io-buffer.js +405 -0
- package/lib/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/mol-io/common/netcdf/reader.js +456 -0
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/mol-io/reader/nctraj/parser.js +97 -0
- package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/mol-io/reader/prmtop/parser.js +168 -0
- package/lib/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/mol-io/reader/top/parser.js +299 -0
- package/lib/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/mol-io/reader/trr/parser.js +142 -0
- package/lib/mol-io/writer/cif/encoder.js +2 -1
- package/lib/mol-math/geometry/common.d.ts +2 -1
- package/lib/mol-math/geometry/common.js +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
- package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +12 -6
- package/lib/mol-model/sequence/sequence.js +2 -1
- package/lib/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/mol-model/structure/model/types/saccharides.js +8 -0
- package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/mol-model/structure/structure/structure.js +4 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +4 -2
- package/lib/mol-model/structure/structure/unit.js +1 -18
- package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/atomic.js +1 -14
- package/lib/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/parser.js +1 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/mol-model-formats/structure/basic/util.js +24 -1
- package/lib/mol-model-formats/structure/cif-core.js +4 -4
- package/lib/mol-model-formats/structure/common/component.js +5 -1
- package/lib/mol-model-formats/structure/cube.js +3 -3
- package/lib/mol-model-formats/structure/gro.js +3 -1
- package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/mol-model-formats/structure/mol.js +3 -3
- package/lib/mol-model-formats/structure/mol2.js +4 -4
- package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/mol-model-formats/structure/nctraj.js +56 -0
- package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb.js +5 -3
- package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/mol-model-formats/structure/prmtop.js +144 -0
- package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/mol-model-formats/structure/psf.js +3 -1
- package/lib/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/mol-model-formats/structure/top.js +186 -0
- package/lib/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/mol-model-formats/structure/trr.js +42 -0
- package/lib/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/mol-model-formats/structure/util.js +19 -20
- package/lib/mol-model-formats/structure/xyz.js +2 -2
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +9 -3
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +10 -5
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.js +10 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/context.d.ts +2 -1
- package/lib/mol-plugin/context.js +4 -3
- package/lib/mol-plugin/spec.js +1 -1
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/mol-plugin-state/actions/file.js +88 -55
- package/lib/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/mol-plugin-state/actions/structure.js +174 -4
- package/lib/mol-plugin-state/actions/volume.js +3 -2
- package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/mol-plugin-state/formats/coordinates.js +67 -0
- package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/mol-plugin-state/formats/registry.js +13 -8
- package/lib/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/mol-plugin-state/formats/topology.js +84 -0
- package/lib/mol-plugin-state/helpers/root-structure.js +1 -1
- package/lib/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/mol-plugin-state/manager/snapshots.js +4 -4
- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -1
- package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/mol-plugin-state/transforms/data.js +61 -9
- package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/mol-plugin-state/transforms/model.js +112 -3
- package/lib/mol-plugin-ui/base.js +1 -1
- package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
- package/lib/mol-plugin-ui/controls/color.js +3 -3
- package/lib/mol-plugin-ui/controls/common.js +10 -10
- package/lib/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/mol-plugin-ui/controls/legend.js +3 -3
- package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -1
- package/lib/mol-plugin-ui/controls/parameters.js +51 -51
- package/lib/mol-plugin-ui/controls/screenshot.js +2 -2
- package/lib/mol-plugin-ui/controls/slider.js +5 -5
- package/lib/mol-plugin-ui/controls.js +7 -7
- package/lib/mol-plugin-ui/custom/volume.js +4 -4
- package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/mol-plugin-ui/left-panel.js +33 -12
- package/lib/mol-plugin-ui/plugin.js +10 -10
- package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/sequence.js +5 -5
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +128 -128
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/state/actions.js +1 -1
- package/lib/mol-plugin-ui/state/animation.js +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -7
- package/lib/mol-plugin-ui/state/snapshots.js +9 -9
- package/lib/mol-plugin-ui/state/tree.js +14 -14
- package/lib/mol-plugin-ui/state/update-transform.js +1 -1
- package/lib/mol-plugin-ui/structure/components.js +10 -10
- package/lib/mol-plugin-ui/structure/focus.js +1 -1
- package/lib/mol-plugin-ui/structure/generic.js +4 -4
- package/lib/mol-plugin-ui/structure/measurements.js +8 -8
- package/lib/mol-plugin-ui/structure/quick-styles.js +2 -2
- package/lib/mol-plugin-ui/structure/selection.js +7 -7
- package/lib/mol-plugin-ui/structure/source.js +4 -4
- package/lib/mol-plugin-ui/structure/superposition.js +8 -8
- package/lib/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/mol-plugin-ui/task.js +5 -5
- package/lib/mol-plugin-ui/toast.js +4 -4
- package/lib/mol-plugin-ui/viewport/canvas.js +3 -3
- package/lib/mol-plugin-ui/viewport/help.js +8 -8
- package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
- package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -1
- package/lib/mol-plugin-ui/viewport.js +4 -4
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -10
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -5
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +16 -6
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +8 -3
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
- package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/mol-repr/structure/visual/element-point.js +22 -3
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
- package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/mol-repr/structure/visual/util/common.js +1 -24
- package/lib/mol-repr/structure/visual/util/element.js +36 -2
- package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/mol-repr/structure/visual/util/link.js +55 -6
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/lib/mol-script/language/parser.js +7 -4
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -7
- package/lib/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/mol-util/data-source.js +2 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -10
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -0
- package/lib/mol-util/zip/deflate.js +2 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/package.json +160 -160
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
- package/lib/mol-plugin-state/formats/structure.js +0 -61
package/build/viewer/index.html
CHANGED
|
@@ -1,107 +1,107 @@
|
|
|
1
|
-
<!DOCTYPE html>
|
|
2
|
-
<html lang="en">
|
|
3
|
-
<head>
|
|
4
|
-
<meta charset="utf-8" />
|
|
5
|
-
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
|
|
6
|
-
<link rel="icon" href="./favicon.ico" type="image/x-icon">
|
|
7
|
-
<title>Mol* Viewer</title>
|
|
8
|
-
<style>
|
|
9
|
-
* {
|
|
10
|
-
margin: 0;
|
|
11
|
-
padding: 0;
|
|
12
|
-
box-sizing: border-box;
|
|
13
|
-
}
|
|
14
|
-
html, body {
|
|
15
|
-
width: 100%;
|
|
16
|
-
height: 100%;
|
|
17
|
-
overflow: hidden;
|
|
18
|
-
}
|
|
19
|
-
hr {
|
|
20
|
-
margin: 10px;
|
|
21
|
-
}
|
|
22
|
-
h1, h2, h3, h4, h5 {
|
|
23
|
-
margin-top: 5px;
|
|
24
|
-
margin-bottom: 3px;
|
|
25
|
-
}
|
|
26
|
-
button {
|
|
27
|
-
padding: 2px;
|
|
28
|
-
}
|
|
29
|
-
#app {
|
|
30
|
-
position: absolute;
|
|
31
|
-
left: 100px;
|
|
32
|
-
top: 100px;
|
|
33
|
-
width: 800px;
|
|
34
|
-
height: 600px;
|
|
35
|
-
}
|
|
36
|
-
</style>
|
|
37
|
-
<link rel="stylesheet" type="text/css" href="molstar.css" />
|
|
38
|
-
</head>
|
|
39
|
-
<body>
|
|
40
|
-
<div id="app"></div>
|
|
41
|
-
<script type="text/javascript" src="./molstar.js"></script>
|
|
42
|
-
<script type="text/javascript">
|
|
43
|
-
function getParam(name, regex) {
|
|
44
|
-
var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
|
|
45
|
-
return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
|
|
46
|
-
}
|
|
47
|
-
|
|
48
|
-
var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
|
|
49
|
-
if (debugMode) molstar.setDebugMode(debugMode, debugMode);
|
|
50
|
-
|
|
51
|
-
var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
|
|
52
|
-
var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
|
|
53
|
-
var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
|
|
54
|
-
var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
|
|
55
|
-
var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
|
|
56
|
-
var pixelScale = getParam('pixel-scale', '[^&]+').trim();
|
|
57
|
-
var pickScale = getParam('pick-scale', '[^&]+').trim();
|
|
58
|
-
var pickPadding = getParam('pick-padding', '[^&]+').trim();
|
|
59
|
-
var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
|
|
60
|
-
var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
|
|
61
|
-
|
|
62
|
-
molstar.Viewer.create('app', {
|
|
63
|
-
layoutShowControls: !hideControls,
|
|
64
|
-
viewportShowExpand: false,
|
|
65
|
-
collapseLeftPanel: collapseLeftPanel,
|
|
66
|
-
pdbProvider: pdbProvider || 'pdbe',
|
|
67
|
-
emdbProvider: emdbProvider || 'pdbe',
|
|
68
|
-
volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
|
|
69
|
-
? 'https://maps.rcsb.org'
|
|
70
|
-
: 'https://www.ebi.ac.uk/pdbe/densities',
|
|
71
|
-
pixelScale: parseFloat(pixelScale) || 1,
|
|
72
|
-
pickScale: parseFloat(pickScale) || 0.25,
|
|
73
|
-
pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
|
|
74
|
-
enableWboit: disableWboit ? true : void 0, // use default value if disable-wboit is not set
|
|
75
|
-
preferWebgl1: preferWebgl1,
|
|
76
|
-
}).then(viewer => {
|
|
77
|
-
var snapshotId = getParam('snapshot-id', '[^&]+').trim();
|
|
78
|
-
if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
|
|
79
|
-
|
|
80
|
-
var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
|
|
81
|
-
var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
|
|
82
|
-
if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
|
|
83
|
-
|
|
84
|
-
var structureUrl = getParam('structure-url', '[^&]+').trim();
|
|
85
|
-
var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
|
|
86
|
-
var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
|
|
87
|
-
if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
|
|
88
|
-
|
|
89
|
-
var pdb = getParam('pdb', '[^&]+').trim();
|
|
90
|
-
if (pdb) viewer.loadPdb(pdb);
|
|
91
|
-
|
|
92
|
-
var pdbDev = getParam('pdb-dev', '[^&]+').trim();
|
|
93
|
-
if (pdbDev) viewer.loadPdbDev(pdbDev);
|
|
94
|
-
|
|
95
|
-
var emdb = getParam('emdb', '[^&]+').trim();
|
|
96
|
-
if (emdb) viewer.loadEmdb(emdb);
|
|
97
|
-
|
|
98
|
-
var afdb = getParam('afdb', '[^&]+').trim();
|
|
99
|
-
if (afdb) viewer.loadAlphaFoldDb(afdb);
|
|
100
|
-
|
|
101
|
-
var modelArchive = getParam('model-archive', '[^&]+').trim();
|
|
102
|
-
if (modelArchive) viewer.loadModelArchive(modelArchive);
|
|
103
|
-
});
|
|
104
|
-
</script>
|
|
105
|
-
<!-- __MOLSTAR_ANALYTICS__ -->
|
|
106
|
-
</body>
|
|
1
|
+
<!DOCTYPE html>
|
|
2
|
+
<html lang="en">
|
|
3
|
+
<head>
|
|
4
|
+
<meta charset="utf-8" />
|
|
5
|
+
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
|
|
6
|
+
<link rel="icon" href="./favicon.ico" type="image/x-icon">
|
|
7
|
+
<title>Mol* Viewer</title>
|
|
8
|
+
<style>
|
|
9
|
+
* {
|
|
10
|
+
margin: 0;
|
|
11
|
+
padding: 0;
|
|
12
|
+
box-sizing: border-box;
|
|
13
|
+
}
|
|
14
|
+
html, body {
|
|
15
|
+
width: 100%;
|
|
16
|
+
height: 100%;
|
|
17
|
+
overflow: hidden;
|
|
18
|
+
}
|
|
19
|
+
hr {
|
|
20
|
+
margin: 10px;
|
|
21
|
+
}
|
|
22
|
+
h1, h2, h3, h4, h5 {
|
|
23
|
+
margin-top: 5px;
|
|
24
|
+
margin-bottom: 3px;
|
|
25
|
+
}
|
|
26
|
+
button {
|
|
27
|
+
padding: 2px;
|
|
28
|
+
}
|
|
29
|
+
#app {
|
|
30
|
+
position: absolute;
|
|
31
|
+
left: 100px;
|
|
32
|
+
top: 100px;
|
|
33
|
+
width: 800px;
|
|
34
|
+
height: 600px;
|
|
35
|
+
}
|
|
36
|
+
</style>
|
|
37
|
+
<link rel="stylesheet" type="text/css" href="molstar.css" />
|
|
38
|
+
</head>
|
|
39
|
+
<body>
|
|
40
|
+
<div id="app"></div>
|
|
41
|
+
<script type="text/javascript" src="./molstar.js"></script>
|
|
42
|
+
<script type="text/javascript">
|
|
43
|
+
function getParam(name, regex) {
|
|
44
|
+
var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
|
|
45
|
+
return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
|
|
46
|
+
}
|
|
47
|
+
|
|
48
|
+
var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
|
|
49
|
+
if (debugMode) molstar.setDebugMode(debugMode, debugMode);
|
|
50
|
+
|
|
51
|
+
var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
|
|
52
|
+
var collapseLeftPanel = getParam('collapse-left-panel', '[^&]+').trim() === '1';
|
|
53
|
+
var pdbProvider = getParam('pdb-provider', '[^&]+').trim().toLowerCase();
|
|
54
|
+
var emdbProvider = getParam('emdb-provider', '[^&]+').trim().toLowerCase();
|
|
55
|
+
var mapProvider = getParam('map-provider', '[^&]+').trim().toLowerCase();
|
|
56
|
+
var pixelScale = getParam('pixel-scale', '[^&]+').trim();
|
|
57
|
+
var pickScale = getParam('pick-scale', '[^&]+').trim();
|
|
58
|
+
var pickPadding = getParam('pick-padding', '[^&]+').trim();
|
|
59
|
+
var disableWboit = getParam('disable-wboit', '[^&]+').trim() === '1';
|
|
60
|
+
var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
|
|
61
|
+
|
|
62
|
+
molstar.Viewer.create('app', {
|
|
63
|
+
layoutShowControls: !hideControls,
|
|
64
|
+
viewportShowExpand: false,
|
|
65
|
+
collapseLeftPanel: collapseLeftPanel,
|
|
66
|
+
pdbProvider: pdbProvider || 'pdbe',
|
|
67
|
+
emdbProvider: emdbProvider || 'pdbe',
|
|
68
|
+
volumeStreamingServer: (mapProvider || 'pdbe') === 'rcsb'
|
|
69
|
+
? 'https://maps.rcsb.org'
|
|
70
|
+
: 'https://www.ebi.ac.uk/pdbe/densities',
|
|
71
|
+
pixelScale: parseFloat(pixelScale) || 1,
|
|
72
|
+
pickScale: parseFloat(pickScale) || 0.25,
|
|
73
|
+
pickPadding: isNaN(parseFloat(pickPadding)) ? 1 : parseFloat(pickPadding),
|
|
74
|
+
enableWboit: disableWboit ? true : void 0, // use default value if disable-wboit is not set
|
|
75
|
+
preferWebgl1: preferWebgl1,
|
|
76
|
+
}).then(viewer => {
|
|
77
|
+
var snapshotId = getParam('snapshot-id', '[^&]+').trim();
|
|
78
|
+
if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
|
|
79
|
+
|
|
80
|
+
var snapshotUrl = getParam('snapshot-url', '[^&]+').trim();
|
|
81
|
+
var snapshotUrlType = getParam('snapshot-url-type', '[^&]+').toLowerCase().trim() || 'molj';
|
|
82
|
+
if (snapshotUrl && snapshotUrlType) viewer.loadSnapshotFromUrl(snapshotUrl, snapshotUrlType);
|
|
83
|
+
|
|
84
|
+
var structureUrl = getParam('structure-url', '[^&]+').trim();
|
|
85
|
+
var structureUrlFormat = getParam('structure-url-format', '[a-z]+').toLowerCase().trim();
|
|
86
|
+
var structureUrlIsBinary = getParam('structure-url-is-binary', '[^&]+').trim() === '1';
|
|
87
|
+
if (structureUrl) viewer.loadStructureFromUrl(structureUrl, structureUrlFormat, structureUrlIsBinary);
|
|
88
|
+
|
|
89
|
+
var pdb = getParam('pdb', '[^&]+').trim();
|
|
90
|
+
if (pdb) viewer.loadPdb(pdb);
|
|
91
|
+
|
|
92
|
+
var pdbDev = getParam('pdb-dev', '[^&]+').trim();
|
|
93
|
+
if (pdbDev) viewer.loadPdbDev(pdbDev);
|
|
94
|
+
|
|
95
|
+
var emdb = getParam('emdb', '[^&]+').trim();
|
|
96
|
+
if (emdb) viewer.loadEmdb(emdb);
|
|
97
|
+
|
|
98
|
+
var afdb = getParam('afdb', '[^&]+').trim();
|
|
99
|
+
if (afdb) viewer.loadAlphaFoldDb(afdb);
|
|
100
|
+
|
|
101
|
+
var modelArchive = getParam('model-archive', '[^&]+').trim();
|
|
102
|
+
if (modelArchive) viewer.loadModelArchive(modelArchive);
|
|
103
|
+
});
|
|
104
|
+
</script>
|
|
105
|
+
<!-- __MOLSTAR_ANALYTICS__ -->
|
|
106
|
+
</body>
|
|
107
107
|
</html>
|