molstar 3.4.0 → 3.6.1
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 -197
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +12 -14
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/viewer/app.js +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/cli/cifschema/util/generate.js +12 -3
- package/lib/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +2 -2
- package/lib/commonjs/apps/viewer/app.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +4 -4
- package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
- package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +2 -2
- package/lib/commonjs/examples/lighting/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
- 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 +1 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +18 -19
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-data/db/column.d.ts +10 -3
- package/lib/commonjs/mol-data/db/column.js +39 -17
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- 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.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
- 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 +6 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +12 -12
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +2 -2
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +10 -4
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +22 -2
- package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
- 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 +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +12 -6
- package/lib/commonjs/mol-model/structure/model/model.js +14 -6
- package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -1
- package/lib/commonjs/mol-model/structure/model/types.d.ts +19 -17
- package/lib/commonjs/mol-model/structure/model/types.js +30 -31
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +3 -0
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +3 -3
- package/lib/commonjs/mol-model-formats/structure/common/component.js +46 -46
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +4 -2
- package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/commonjs/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/commonjs/mol-plugin-ui/react18.js +38 -0
- package/lib/commonjs/mol-plugin-ui/state/common.js +6 -7
- package/lib/commonjs/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +2 -2
- package/lib/commonjs/mol-plugin-ui/task.d.ts +2 -21
- package/lib/commonjs/mol-plugin-ui/task.js +39 -43
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/params.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/registry.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -9
- 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 +4 -5
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +3 -3
- 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 +4 -4
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +2 -27
- package/lib/commonjs/mol-repr/util.d.ts +2 -1
- package/lib/commonjs/mol-repr/util.js +2 -2
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/commonjs/mol-repr/volume/registry.d.ts +1 -0
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/alpha-orbitals/index.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/basic-wrapper/index.js +1 -1
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/lighting/index.js +1 -1
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/examples/proteopedia-wrapper/index.js +1 -1
- package/lib/extensions/anvil/behavior.d.ts +1 -0
- package/lib/extensions/anvil/representation.d.ts +4 -0
- package/lib/extensions/cellpack/representation.d.ts +1 -0
- 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/representation.d.ts +3 -0
- package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/mol-data/db/column.d.ts +10 -3
- package/lib/mol-data/db/column.js +39 -18
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/mol-geo/geometry/cylinders/cylinders.js +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/mesh/mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
- 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-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/mol-gl/shader/image.frag.js +2 -2
- package/lib/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/mol-gl/shader/lines.frag.js +2 -2
- package/lib/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/mol-gl/shader/points.frag.js +2 -2
- package/lib/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/mol-gl/shader/text.frag.js +2 -2
- package/lib/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/mol-gl/webgl/buffer.js +12 -12
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-gl/webgl/context.js +2 -2
- package/lib/mol-gl/webgl/program.d.ts +1 -1
- package/lib/mol-gl/webgl/program.js +10 -4
- package/lib/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
- package/lib/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema.js +22 -2
- package/lib/mol-io/writer/mol/encoder.js +1 -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/structure/model/model.js +14 -6
- package/lib/mol-model/structure/model/properties/common.js +1 -1
- package/lib/mol-model/structure/model/types.d.ts +19 -17
- package/lib/mol-model/structure/model/types.js +30 -31
- package/lib/mol-model/structure/query/queries/generators.js +1 -1
- package/lib/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
- package/lib/mol-model/structure/structure/unit/rings.js +3 -0
- package/lib/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/common/component.d.ts +3 -3
- package/lib/mol-model-formats/structure/common/component.js +46 -46
- package/lib/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
- package/lib/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +4 -2
- package/lib/mol-plugin/commands.d.ts +1 -0
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/structure.d.ts +6 -6
- package/lib/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/mol-plugin-ui/react18.js +34 -0
- 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/common.js +7 -8
- package/lib/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/focus.js +2 -2
- package/lib/mol-plugin-ui/task.d.ts +2 -21
- package/lib/mol-plugin-ui/task.js +40 -46
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/mol-repr/structure/params.d.ts +4 -0
- package/lib/mol-repr/structure/registry.d.ts +10 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -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.d.ts +1 -0
- 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/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- 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/util.d.ts +2 -1
- package/lib/mol-repr/util.js +2 -2
- package/lib/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/mol-repr/volume/registry.d.ts +1 -0
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/package.json +162 -160
|
@@ -2,8 +2,8 @@
|
|
|
2
2
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
3
|
exports.image_frag = void 0;
|
|
4
4
|
/**
|
|
5
|
-
* Copyright (c) 2020-
|
|
5
|
+
* Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
6
6
|
*
|
|
7
7
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
8
8
|
*/
|
|
9
|
-
exports.image_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include read_from_texture\n#include common_frag_params\n#include common_clip\n\nuniform vec2 uImageTexDim;\nuniform sampler2D tImageTex;\nuniform sampler2D tGroupTex;\n\nuniform vec2 uMarkerTexDim;\nuniform sampler2D tMarker;\n\nvarying vec2 vUv;\nvarying float vInstance;\n\n#if defined(dInterpolation_catmulrom) || defined(dInterpolation_mitchell) || defined(dInterpolation_bspline)\n #define dInterpolation_cubic\n#endif\n\n#if defined(dInterpolation_cubic)\n #if defined(dInterpolation_catmulrom) || defined(dInterpolation_mitchell)\n #if defined(dInterpolation_catmulrom)\n const float B = 0.0;\n const float C = 0.5;\n #elif defined(dInterpolation_mitchell)\n const float B = 0.333;\n const float C = 0.333;\n #endif\n\n float cubicFilter(float x){\n float f = x;\n if (f < 0.0) {\n f = -f;\n }\n if (f < 1.0) {\n return ((12.0 - 9.0 * B - 6.0 * C) * (f * f * f) +\n (-18.0 + 12.0 * B + 6.0 * C) * (f * f) +\n (6.0 - 2.0 * B)) / 6.0;\n }else if (f >= 1.0 && f < 2.0){\n return ((-B - 6.0 * C) * ( f * f * f)\n + (6.0 * B + 30.0 * C) * (f * f) +\n (-(12.0 * B) - 48.0 * C) * f +\n 8.0 * B + 24.0 * C) / 6.0;\n }else{\n return 0.0;\n }\n }\n #elif defined(dInterpolation_bspline)\n float cubicFilter(float x) {\n float f = x;\n if (f < 0.0) {\n f = -f;\n }\n if (f >= 0.0 && f <= 1.0){\n return (2.0 / 3.0) + (0.5) * (f * f * f) - (f * f);\n } else if (f > 1.0 && f <= 2.0) {\n return 1.0 / 6.0 * pow((2.0 - f), 3.0);\n }\n return 1.0;\n }\n #endif\n\n vec4 biCubic(sampler2D tex, vec2 texCoord) {\n vec2 texelSize = 1.0 / uImageTexDim;\n texCoord -= texelSize / 2.0;\n vec4 nSum = vec4(0.0);\n float nDenom = 0.0;\n vec2 cell = fract(texCoord * uImageTexDim);\n for (float m = -1.0; m <= 2.0; ++m) {\n for (float n = -1.0; n <= 2.0; ++n) {\n vec4 vecData = texture2D(tex, texCoord + texelSize * vec2(m, n));\n float c = cubicFilter(m - cell.x) * cubicFilter(-n + cell.y);\n nSum += vecData * c;\n nDenom += c;\n }\n }\n return nSum / nDenom;\n }\n#endif\n\nvoid main() {\n #include clip_pixel\n\n #if defined(dInterpolation_cubic)\n vec4 imageData = biCubic(tImageTex, vUv);\n #else\n vec4 imageData = texture2D(tImageTex, vUv);\n #endif\n imageData.a = clamp(imageData.a, 0.0, 1.0);\n if (imageData.a > 0.9) imageData.a = 1.0;\n\n float fragmentDepth = gl_FragCoord.z;\n
|
|
9
|
+
exports.image_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include read_from_texture\n#include common_frag_params\n#include common_clip\n\nuniform vec2 uImageTexDim;\nuniform sampler2D tImageTex;\nuniform sampler2D tGroupTex;\n\nuniform vec2 uMarkerTexDim;\nuniform sampler2D tMarker;\n\nvarying vec2 vUv;\nvarying float vInstance;\n\n#if defined(dInterpolation_catmulrom) || defined(dInterpolation_mitchell) || defined(dInterpolation_bspline)\n #define dInterpolation_cubic\n#endif\n\n#if defined(dInterpolation_cubic)\n #if defined(dInterpolation_catmulrom) || defined(dInterpolation_mitchell)\n #if defined(dInterpolation_catmulrom)\n const float B = 0.0;\n const float C = 0.5;\n #elif defined(dInterpolation_mitchell)\n const float B = 0.333;\n const float C = 0.333;\n #endif\n\n float cubicFilter(float x){\n float f = x;\n if (f < 0.0) {\n f = -f;\n }\n if (f < 1.0) {\n return ((12.0 - 9.0 * B - 6.0 * C) * (f * f * f) +\n (-18.0 + 12.0 * B + 6.0 * C) * (f * f) +\n (6.0 - 2.0 * B)) / 6.0;\n }else if (f >= 1.0 && f < 2.0){\n return ((-B - 6.0 * C) * ( f * f * f)\n + (6.0 * B + 30.0 * C) * (f * f) +\n (-(12.0 * B) - 48.0 * C) * f +\n 8.0 * B + 24.0 * C) / 6.0;\n }else{\n return 0.0;\n }\n }\n #elif defined(dInterpolation_bspline)\n float cubicFilter(float x) {\n float f = x;\n if (f < 0.0) {\n f = -f;\n }\n if (f >= 0.0 && f <= 1.0){\n return (2.0 / 3.0) + (0.5) * (f * f * f) - (f * f);\n } else if (f > 1.0 && f <= 2.0) {\n return 1.0 / 6.0 * pow((2.0 - f), 3.0);\n }\n return 1.0;\n }\n #endif\n\n vec4 biCubic(sampler2D tex, vec2 texCoord) {\n vec2 texelSize = 1.0 / uImageTexDim;\n texCoord -= texelSize / 2.0;\n vec4 nSum = vec4(0.0);\n float nDenom = 0.0;\n vec2 cell = fract(texCoord * uImageTexDim);\n for (float m = -1.0; m <= 2.0; ++m) {\n for (float n = -1.0; n <= 2.0; ++n) {\n vec4 vecData = texture2D(tex, texCoord + texelSize * vec2(m, n));\n float c = cubicFilter(m - cell.x) * cubicFilter(-n + cell.y);\n nSum += vecData * c;\n nDenom += c;\n }\n }\n return nSum / nDenom;\n }\n#endif\n\nvoid main() {\n #include clip_pixel\n\n #if defined(dInterpolation_cubic)\n vec4 imageData = biCubic(tImageTex, vUv);\n #else\n vec4 imageData = texture2D(tImageTex, vUv);\n #endif\n imageData.a = clamp(imageData.a, 0.0, 1.0);\n if (imageData.a > 0.9) imageData.a = 1.0;\n\n float fragmentDepth = gl_FragCoord.z;\n\n #if defined(dRenderVariant_pick)\n if (imageData.a < 0.3)\n discard;\n if (uPickType == 1) {\n gl_FragColor = vec4(packIntToRGB(float(uObjectId)), 1.0);\n } else if (uPickType == 2) {\n gl_FragColor = vec4(packIntToRGB(vInstance), 1.0);\n } else {\n gl_FragColor = vec4(texture2D(tGroupTex, vUv).rgb, 1.0);\n }\n #elif defined(dRenderVariant_depth)\n if (imageData.a < 0.05)\n discard;\n gl_FragColor = packDepthToRGBA(gl_FragCoord.z);\n #elif defined(dRenderVariant_marking)\n float marker = uMarker;\n if (uMarker == -1.0) {\n float group = unpackRGBToInt(texture2D(tGroupTex, vUv).rgb);\n marker = readFromTexture(tMarker, vInstance * float(uGroupCount) + group, uMarkerTexDim).a;\n marker = floor(marker * 255.0 + 0.5); // rounding required to work on some cards on win\n }\n if (uMarkingType == 1) {\n if (marker > 0.0 || imageData.a < 0.05)\n discard;\n gl_FragColor = packDepthToRGBA(gl_FragCoord.z);\n } else {\n if (marker == 0.0 || imageData.a < 0.05)\n discard;\n float depthTest = 1.0;\n if (uMarkingDepthTest) {\n depthTest = (fragmentDepth >= getDepth(gl_FragCoord.xy / uDrawingBufferSize)) ? 1.0 : 0.0;\n }\n bool isHighlight = intMod(marker, 2.0) > 0.1;\n gl_FragColor = vec4(0.0, depthTest, isHighlight ? 1.0 : 0.0, 1.0);\n }\n #elif defined(dRenderVariant_color)\n if (imageData.a < 0.05)\n discard;\n gl_FragColor = imageData;\n gl_FragColor.a *= uAlpha;\n\n float marker = uMarker;\n if (uMarker == -1.0) {\n float group = unpackRGBToInt(texture2D(tGroupTex, vUv).rgb);\n marker = readFromTexture(tMarker, vInstance * float(uGroupCount) + group, uMarkerTexDim).a;\n marker = floor(marker * 255.0 + 0.5); // rounding required to work on some cards on win\n }\n\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
6
|
-
export declare const lines_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nvoid main(){\n #include clip_pixel\n\n
|
|
6
|
+
export declare const lines_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n gl_FragColor = material;\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n gl_FragColor = material;\n\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,9 +1,9 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.lines_frag = void 0;
|
|
9
|
-
exports.lines_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nvoid main(){\n #include clip_pixel\n\n
|
|
9
|
+
exports.lines_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n gl_FragColor = material;\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n gl_FragColor = material;\n\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
6
|
-
export declare const points_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nconst vec2 center = vec2(0.5);\nconst float radius = 0.5;\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n
|
|
6
|
+
export declare const points_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nconst vec2 center = vec2(0.5);\nconst float radius = 0.5;\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n #if defined(dPointStyle_circle)\n float dist = distance(gl_PointCoord, center);\n if (dist > radius) discard;\n #elif defined(dPointStyle_fuzzy)\n float dist = distance(gl_PointCoord, center);\n float fuzzyAlpha = 1.0 - smoothstep(0.0, radius, dist);\n if (fuzzyAlpha < 0.0001) discard;\n #endif\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n gl_FragColor = material;\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n gl_FragColor = material;\n\n #if defined(dPointStyle_fuzzy)\n gl_FragColor.a *= fuzzyAlpha;\n #endif\n\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,9 +1,9 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.points_frag = void 0;
|
|
9
|
-
exports.points_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nconst vec2 center = vec2(0.5);\nconst float radius = 0.5;\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n
|
|
9
|
+
exports.points_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nconst vec2 center = vec2(0.5);\nconst float radius = 0.5;\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n #if defined(dPointStyle_circle)\n float dist = distance(gl_PointCoord, center);\n if (dist > radius) discard;\n #elif defined(dPointStyle_fuzzy)\n float dist = distance(gl_PointCoord, center);\n float fuzzyAlpha = 1.0 - smoothstep(0.0, radius, dist);\n if (fuzzyAlpha < 0.0001) discard;\n #endif\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n gl_FragColor = material;\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n gl_FragColor = material;\n\n #if defined(dPointStyle_fuzzy)\n gl_FragColor.a *= fuzzyAlpha;\n #endif\n\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2019-
|
|
2
|
+
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
6
|
-
export declare const text_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nuniform sampler2D tFont;\n\nuniform vec3 uBorderColor;\nuniform float uBorderWidth;\nuniform vec3 uBackgroundColor;\nuniform float uBackgroundOpacity;\n\nvarying vec2 vTexCoord;\n\nconst float smoothness = 32.0;\nconst float gamma = 2.2;\n\nvoid main2(){\n gl_FragColor = vec4(1.0, 0.0, 0.0, 1.0);\n}\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n
|
|
6
|
+
export declare const text_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nuniform sampler2D tFont;\n\nuniform vec3 uBorderColor;\nuniform float uBorderWidth;\nuniform vec3 uBackgroundColor;\nuniform float uBackgroundOpacity;\n\nvarying vec2 vTexCoord;\n\nconst float smoothness = 32.0;\nconst float gamma = 2.2;\n\nvoid main2(){\n gl_FragColor = vec4(1.0, 0.0, 0.0, 1.0);\n}\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n if (vTexCoord.x > 1.0) {\n gl_FragColor = vec4(uBackgroundColor, uBackgroundOpacity * material.a);\n } else {\n // retrieve signed distance\n float sdf = texture2D(tFont, vTexCoord).a + uBorderWidth;\n\n // perform adaptive anti-aliasing of the edges\n float w = clamp(smoothness * (abs(dFdx(vTexCoord.x)) + abs(dFdy(vTexCoord.y))), 0.0, 0.5);\n float a = smoothstep(0.5 - w, 0.5 + w, sdf);\n\n // gamma correction for linear attenuation\n a = pow(a, 1.0 / gamma);\n\n if (a < 0.5) discard;\n material.a *= a;\n\n // add border\n float t = 0.5 + uBorderWidth;\n if (uBorderWidth > 0.0 && sdf < t) {\n material.xyz = mix(uBorderColor, material.xyz, smoothstep(t - w, t, sdf));\n }\n\n gl_FragColor = material;\n }\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,9 +1,9 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2019-
|
|
3
|
+
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.text_frag = void 0;
|
|
9
|
-
exports.text_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nuniform sampler2D tFont;\n\nuniform vec3 uBorderColor;\nuniform float uBorderWidth;\nuniform vec3 uBackgroundColor;\nuniform float uBackgroundOpacity;\n\nvarying vec2 vTexCoord;\n\nconst float smoothness = 32.0;\nconst float gamma = 2.2;\n\nvoid main2(){\n gl_FragColor = vec4(1.0, 0.0, 0.0, 1.0);\n}\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n
|
|
9
|
+
exports.text_frag = "\nprecision highp float;\nprecision highp int;\n\n#include common\n#include common_frag_params\n#include color_frag_params\n#include common_clip\n\nuniform sampler2D tFont;\n\nuniform vec3 uBorderColor;\nuniform float uBorderWidth;\nuniform vec3 uBackgroundColor;\nuniform float uBackgroundOpacity;\n\nvarying vec2 vTexCoord;\n\nconst float smoothness = 32.0;\nconst float gamma = 2.2;\n\nvoid main2(){\n gl_FragColor = vec4(1.0, 0.0, 0.0, 1.0);\n}\n\nvoid main(){\n #include clip_pixel\n\n float fragmentDepth = gl_FragCoord.z;\n #include assign_material_color\n\n if (vTexCoord.x > 1.0) {\n gl_FragColor = vec4(uBackgroundColor, uBackgroundOpacity * material.a);\n } else {\n // retrieve signed distance\n float sdf = texture2D(tFont, vTexCoord).a + uBorderWidth;\n\n // perform adaptive anti-aliasing of the edges\n float w = clamp(smoothness * (abs(dFdx(vTexCoord.x)) + abs(dFdy(vTexCoord.y))), 0.0, 0.5);\n float a = smoothstep(0.5 - w, 0.5 + w, sdf);\n\n // gamma correction for linear attenuation\n a = pow(a, 1.0 / gamma);\n\n if (a < 0.5) discard;\n material.a *= a;\n\n // add border\n float t = 0.5 + uBorderWidth;\n if (uBorderWidth > 0.0 && sdf < t) {\n material.xyz = mix(uBorderColor, material.xyz, smoothstep(t - w, t, sdf));\n }\n\n gl_FragColor = material;\n }\n\n #if defined(dRenderVariant_pick)\n #include check_picking_alpha\n #elif defined(dRenderVariant_depth)\n gl_FragColor = material;\n #elif defined(dRenderVariant_marking)\n gl_FragColor = material;\n #elif defined(dRenderVariant_color)\n #include apply_marker_color\n #include apply_fog\n #include wboit_write\n #endif\n}\n";
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -41,7 +41,7 @@ export interface Buffer {
|
|
|
41
41
|
destroy: () => void;
|
|
42
42
|
}
|
|
43
43
|
export declare type AttributeItemSize = 1 | 2 | 3 | 4 | 16;
|
|
44
|
-
export declare type AttributeKind = 'float32'
|
|
44
|
+
export declare type AttributeKind = 'float32';
|
|
45
45
|
export declare function getAttribType(gl: GLRenderingContext, kind: AttributeKind, itemSize: AttributeItemSize): number;
|
|
46
46
|
export declare type AttributeDefs = {
|
|
47
47
|
[k: string]: {
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -9,6 +9,7 @@ exports.createElementsBuffer = exports.createAttributeBuffers = exports.createAt
|
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
10
|
var id_factory_1 = require("../../mol-util/id-factory");
|
|
11
11
|
var type_helpers_1 = require("../../mol-util/type-helpers");
|
|
12
|
+
var compat_1 = require("./compat");
|
|
12
13
|
var getNextBufferId = (0, id_factory_1.idFactory)();
|
|
13
14
|
function getUsageHint(gl, usageHint) {
|
|
14
15
|
switch (usageHint) {
|
|
@@ -27,6 +28,7 @@ function getDataType(gl, dataType) {
|
|
|
27
28
|
case 'uint32': return gl.UNSIGNED_INT;
|
|
28
29
|
case 'int32': return gl.INT;
|
|
29
30
|
case 'float32': return gl.FLOAT;
|
|
31
|
+
default: (0, type_helpers_1.assertUnreachable)(dataType);
|
|
30
32
|
}
|
|
31
33
|
}
|
|
32
34
|
exports.getDataType = getDataType;
|
|
@@ -58,7 +60,13 @@ function getBufferType(gl, bufferType) {
|
|
|
58
60
|
switch (bufferType) {
|
|
59
61
|
case 'attribute': return gl.ARRAY_BUFFER;
|
|
60
62
|
case 'elements': return gl.ELEMENT_ARRAY_BUFFER;
|
|
61
|
-
case 'uniform':
|
|
63
|
+
case 'uniform':
|
|
64
|
+
if ((0, compat_1.isWebGL2)(gl)) {
|
|
65
|
+
return gl.UNIFORM_BUFFER;
|
|
66
|
+
}
|
|
67
|
+
else {
|
|
68
|
+
throw new Error('WebGL2 is required for uniform buffers');
|
|
69
|
+
}
|
|
62
70
|
}
|
|
63
71
|
}
|
|
64
72
|
exports.getBufferType = getBufferType;
|
|
@@ -114,14 +122,6 @@ function createBuffer(gl, array, usageHint, bufferType) {
|
|
|
114
122
|
}
|
|
115
123
|
function getAttribType(gl, kind, itemSize) {
|
|
116
124
|
switch (kind) {
|
|
117
|
-
case 'int32':
|
|
118
|
-
switch (itemSize) {
|
|
119
|
-
case 1: return gl.INT;
|
|
120
|
-
case 2: return gl.INT_VEC2;
|
|
121
|
-
case 3: return gl.INT_VEC3;
|
|
122
|
-
case 4: return gl.INT_VEC4;
|
|
123
|
-
}
|
|
124
|
-
break;
|
|
125
125
|
case 'float32':
|
|
126
126
|
switch (itemSize) {
|
|
127
127
|
case 1: return gl.FLOAT;
|
|
@@ -130,9 +130,9 @@ function getAttribType(gl, kind, itemSize) {
|
|
|
130
130
|
case 4: return gl.FLOAT_VEC4;
|
|
131
131
|
case 16: return gl.FLOAT_MAT4;
|
|
132
132
|
}
|
|
133
|
-
|
|
133
|
+
default:
|
|
134
|
+
(0, type_helpers_1.assertUnreachable)(kind);
|
|
134
135
|
}
|
|
135
|
-
throw new Error("unknown attribute type for kind '".concat(kind, "' and itemSize '").concat(itemSize, "'"));
|
|
136
136
|
}
|
|
137
137
|
exports.getAttribType = getAttribType;
|
|
138
138
|
function createAttributeBuffer(gl, state, extensions, array, itemSize, divisor, usageHint) {
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -233,7 +233,7 @@ function createContext(gl, props) {
|
|
|
233
233
|
gl: gl,
|
|
234
234
|
isWebGL2: (0, compat_1.isWebGL2)(gl),
|
|
235
235
|
get pixelRatio() {
|
|
236
|
-
var dpr = (typeof window !== 'undefined') ? window.devicePixelRatio : 1;
|
|
236
|
+
var dpr = (typeof window !== 'undefined') ? (window.devicePixelRatio || 1) : 1;
|
|
237
237
|
return dpr * (props.pixelScale || 1);
|
|
238
238
|
},
|
|
239
239
|
extensions: extensions,
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -11,6 +11,7 @@ var uniform_1 = require("./uniform");
|
|
|
11
11
|
var buffer_1 = require("./buffer");
|
|
12
12
|
var id_factory_1 = require("../../mol-util/id-factory");
|
|
13
13
|
var debug_1 = require("../../mol-util/debug");
|
|
14
|
+
var compat_1 = require("./compat");
|
|
14
15
|
var getNextProgramId = (0, id_factory_1.idFactory)();
|
|
15
16
|
function getLocations(gl, program, schema) {
|
|
16
17
|
var locations = {};
|
|
@@ -54,7 +55,7 @@ function checkActiveAttributes(gl, program, schema) {
|
|
|
54
55
|
}
|
|
55
56
|
var attribType = (0, buffer_1.getAttribType)(gl, spec.kind, spec.itemSize);
|
|
56
57
|
if (attribType !== type) {
|
|
57
|
-
throw new Error("unexpected attribute type for ".concat(name_1));
|
|
58
|
+
throw new Error("unexpected attribute type '".concat(attribType, "' for ").concat(name_1, ", expected '").concat(type, "'"));
|
|
58
59
|
}
|
|
59
60
|
}
|
|
60
61
|
}
|
|
@@ -87,8 +88,13 @@ function checkActiveUniforms(gl, program, schema) {
|
|
|
87
88
|
}
|
|
88
89
|
}
|
|
89
90
|
else if (spec.kind === 'volume-float32' || spec.kind === 'volume-uint8') {
|
|
90
|
-
if (
|
|
91
|
-
|
|
91
|
+
if ((0, compat_1.isWebGL2)(gl)) {
|
|
92
|
+
if (type !== gl.SAMPLER_3D) {
|
|
93
|
+
throw new Error("unexpected sampler type for '".concat(name_2, "'"));
|
|
94
|
+
}
|
|
95
|
+
}
|
|
96
|
+
else {
|
|
97
|
+
throw new Error("WebGL2 is required to use SAMPLER_3D");
|
|
92
98
|
}
|
|
93
99
|
}
|
|
94
100
|
else {
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2017-
|
|
2
|
+
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
|
-
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
|
|
4
|
+
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
|
|
5
5
|
*
|
|
6
6
|
* @author molstar/ciftools package
|
|
7
7
|
*/
|
|
@@ -50,7 +50,7 @@ export declare const BIRD_Schema: {
|
|
|
50
50
|
/**
|
|
51
51
|
* Defines the structural classification of the entity.
|
|
52
52
|
*/
|
|
53
|
-
type: Schema.Aliased<"
|
|
53
|
+
type: Schema.Aliased<"unknown" | "non-polymer" | "peptide-like" | "macrolide" | "amino acid" | "aminoglycoside" | "anthracycline" | "anthraquinone" | "ansamycin" | "chalkophore" | "chromophore" | "glycopeptide" | "cyclic depsipeptide" | "cyclic lipopeptide" | "cyclic peptide" | "heterocyclic" | "imino sugar" | "keto acid" | "lipoglycopeptide" | "lipopeptide" | "nucleoside" | "oligopeptide" | "oligosaccharide" | "peptaibol" | "polycyclic" | "polypeptide" | "polysaccharide" | "quinolone" | "thiolactone" | "thiopeptide" | "siderophore" | "chalkophore, polypeptide">;
|
|
54
54
|
/**
|
|
55
55
|
* Evidence for the assignment of _pdbx_reference_molecule.type
|
|
56
56
|
*/
|
|
@@ -58,7 +58,7 @@ export declare const BIRD_Schema: {
|
|
|
58
58
|
/**
|
|
59
59
|
* Broadly defines the function of the entity.
|
|
60
60
|
*/
|
|
61
|
-
class: Schema.Aliased<"
|
|
61
|
+
class: Schema.Aliased<"unknown" | "antagonist" | "antibiotic" | "anticancer" | "anticoagulant" | "antifungal" | "antigen" | "antiinflammatory" | "antimicrobial" | "antineoplastic" | "antiparasitic" | "antiretroviral" | "anthelmintic" | "antithrombotic" | "antitumor" | "antiviral" | "caspase inhibitor" | "chaperone binding" | "enzyme inhibitor" | "drug delivery" | "glycan component" | "growth factor" | "immunosuppressant" | "inducer" | "inhibitor" | "lantibiotic" | "metabolism" | "metal transport" | "nutrient" | "oxidation-reduction" | "protein binding" | "receptor" | "substrate analog" | "synthetic opioid" | "thrombin inhibitor" | "transition state mimetic" | "transport activator" | "trypsin inhibitor" | "toxin" | "water retention" | "anticoagulant, antithrombotic" | "antibiotic, antimicrobial" | "antibiotic, anthelmintic" | "antibiotic, antineoplastic" | "antimicrobial, antiretroviral" | "antimicrobial, antitumor" | "antimicrobial, antiparasitic, antibiotic" | "thrombin inhibitor, trypsin inhibitor">;
|
|
62
62
|
/**
|
|
63
63
|
* Evidence for the assignment of _pdbx_reference_molecule.class
|
|
64
64
|
*/
|
|
@@ -91,7 +91,7 @@ export declare const BIRD_Schema: {
|
|
|
91
91
|
/**
|
|
92
92
|
* Defines the current PDB release status for this molecule definition.
|
|
93
93
|
*/
|
|
94
|
-
release_status: Schema.Aliased<"
|
|
94
|
+
release_status: Schema.Aliased<"wait" | "rel" | "hold" | "obs">;
|
|
95
95
|
/**
|
|
96
96
|
* Assigns the identifier for the reference molecule which have been replaced
|
|
97
97
|
* by this reference molecule.
|
|
@@ -392,11 +392,11 @@ export declare const BIRD_Schema: {
|
|
|
392
392
|
/**
|
|
393
393
|
* A flag to indicate that this monomer is observed in the instance example.
|
|
394
394
|
*/
|
|
395
|
-
observed: Schema.Aliased<"
|
|
395
|
+
observed: Schema.Aliased<"y" | "n">;
|
|
396
396
|
/**
|
|
397
397
|
* A flag to indicate that sequence heterogeneity at this monomer position.
|
|
398
398
|
*/
|
|
399
|
-
hetero: Schema.Aliased<"
|
|
399
|
+
hetero: Schema.Aliased<"y" | "n">;
|
|
400
400
|
};
|
|
401
401
|
/**
|
|
402
402
|
* Additional features associated with the reference entity.
|
|
@@ -479,7 +479,7 @@ export declare const BIRD_Schema: {
|
|
|
479
479
|
/**
|
|
480
480
|
* An identifier for the wwPDB site creating or modifying the molecule.
|
|
481
481
|
*/
|
|
482
|
-
processing_site: Schema.Aliased<"RCSB" | "PDBE" | "
|
|
482
|
+
processing_site: Schema.Aliased<"RCSB" | "PDBE" | "PDBJ" | "BMRB" | "PDBC">;
|
|
483
483
|
/**
|
|
484
484
|
* The action associated with this audit record.
|
|
485
485
|
*/
|
|
@@ -1,8 +1,8 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2017-
|
|
3
|
+
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
|
-
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
|
|
5
|
+
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
|
|
6
6
|
*
|
|
7
7
|
* @author molstar/ciftools package
|
|
8
8
|
*/
|
|
@@ -12,6 +12,7 @@ var db_1 = require("../../../../mol-data/db");
|
|
|
12
12
|
var Schema = db_1.Column.Schema;
|
|
13
13
|
var str = Schema.str;
|
|
14
14
|
var float = Schema.float;
|
|
15
|
+
var lstr = Schema.lstr;
|
|
15
16
|
var Aliased = Schema.Aliased;
|
|
16
17
|
var int = Schema.int;
|
|
17
18
|
exports.BIRD_Schema = {
|
|
@@ -57,7 +58,7 @@ exports.BIRD_Schema = {
|
|
|
57
58
|
/**
|
|
58
59
|
* Defines the structural classification of the entity.
|
|
59
60
|
*/
|
|
60
|
-
type: Aliased(
|
|
61
|
+
type: Aliased(lstr),
|
|
61
62
|
/**
|
|
62
63
|
* Evidence for the assignment of _pdbx_reference_molecule.type
|
|
63
64
|
*/
|
|
@@ -65,7 +66,7 @@ exports.BIRD_Schema = {
|
|
|
65
66
|
/**
|
|
66
67
|
* Broadly defines the function of the entity.
|
|
67
68
|
*/
|
|
68
|
-
class: Aliased(
|
|
69
|
+
class: Aliased(lstr),
|
|
69
70
|
/**
|
|
70
71
|
* Evidence for the assignment of _pdbx_reference_molecule.class
|
|
71
72
|
*/
|
|
@@ -77,7 +78,7 @@ exports.BIRD_Schema = {
|
|
|
77
78
|
/**
|
|
78
79
|
* Defines how this entity is represented in PDB data files.
|
|
79
80
|
*/
|
|
80
|
-
represent_as: Aliased(
|
|
81
|
+
represent_as: Aliased(lstr),
|
|
81
82
|
/**
|
|
82
83
|
* For entities represented as single molecules, the identifier
|
|
83
84
|
* corresponding to the chemical definition for the molecule.
|
|
@@ -98,7 +99,7 @@ exports.BIRD_Schema = {
|
|
|
98
99
|
/**
|
|
99
100
|
* Defines the current PDB release status for this molecule definition.
|
|
100
101
|
*/
|
|
101
|
-
release_status: Aliased(
|
|
102
|
+
release_status: Aliased(lstr),
|
|
102
103
|
/**
|
|
103
104
|
* Assigns the identifier for the reference molecule which have been replaced
|
|
104
105
|
* by this reference molecule.
|
|
@@ -128,7 +129,7 @@ exports.BIRD_Schema = {
|
|
|
128
129
|
/**
|
|
129
130
|
* Defines the polymer characteristic of the entity.
|
|
130
131
|
*/
|
|
131
|
-
type: Aliased(
|
|
132
|
+
type: Aliased(lstr),
|
|
132
133
|
/**
|
|
133
134
|
* Additional details about this entity.
|
|
134
135
|
*/
|
|
@@ -248,7 +249,7 @@ exports.BIRD_Schema = {
|
|
|
248
249
|
/**
|
|
249
250
|
* The bond order target for the chemical linkage.
|
|
250
251
|
*/
|
|
251
|
-
value_order: Aliased(
|
|
252
|
+
value_order: Aliased(lstr),
|
|
252
253
|
/**
|
|
253
254
|
* The entity component identifier for the first of two entities containing the linkage.
|
|
254
255
|
*/
|
|
@@ -334,7 +335,7 @@ exports.BIRD_Schema = {
|
|
|
334
335
|
/**
|
|
335
336
|
* The bond order target for the non-standard linkage.
|
|
336
337
|
*/
|
|
337
|
-
value_order: Aliased(
|
|
338
|
+
value_order: Aliased(lstr),
|
|
338
339
|
},
|
|
339
340
|
/**
|
|
340
341
|
* Data items in the PDBX_REFERENCE_ENTITY_POLY category record details about
|
|
@@ -399,11 +400,11 @@ exports.BIRD_Schema = {
|
|
|
399
400
|
/**
|
|
400
401
|
* A flag to indicate that this monomer is observed in the instance example.
|
|
401
402
|
*/
|
|
402
|
-
observed: Aliased(
|
|
403
|
+
observed: Aliased(lstr),
|
|
403
404
|
/**
|
|
404
405
|
* A flag to indicate that sequence heterogeneity at this monomer position.
|
|
405
406
|
*/
|
|
406
|
-
hetero: Aliased(
|
|
407
|
+
hetero: Aliased(lstr),
|
|
407
408
|
},
|
|
408
409
|
/**
|
|
409
410
|
* Additional features associated with the reference entity.
|
|
@@ -8,5 +8,5 @@ export declare const ccd_chemCompAtom_schema: {
|
|
|
8
8
|
comp_id: import("../../../../mol-data/db/column").Column.Schema.Str;
|
|
9
9
|
atom_id: import("../../../../mol-data/db/column").Column.Schema.Str;
|
|
10
10
|
charge: import("../../../../mol-data/db/column").Column.Schema.Int;
|
|
11
|
-
pdbx_stereo_config: import("../../../../mol-data/db/column").Column.Schema.Aliased<"
|
|
11
|
+
pdbx_stereo_config: import("../../../../mol-data/db/column").Column.Schema.Aliased<"s" | "r" | "n">;
|
|
12
12
|
};
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2017-
|
|
2
|
+
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
|
-
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.
|
|
4
|
+
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
|
|
5
5
|
*
|
|
6
6
|
* @author molstar/ciftools package
|
|
7
7
|
*/
|
|
@@ -93,7 +93,7 @@ export declare const CCD_Schema: {
|
|
|
93
93
|
* linking monomers, monomers with some type of N-terminal (or 5')
|
|
94
94
|
* cap and monomers with some type of C-terminal (or 3') cap.
|
|
95
95
|
*/
|
|
96
|
-
type: Schema.Aliased<"other" | "
|
|
96
|
+
type: Schema.Aliased<"other" | "d-peptide linking" | "l-peptide linking" | "d-peptide nh3 amino terminus" | "l-peptide nh3 amino terminus" | "d-peptide cooh carboxy terminus" | "l-peptide cooh carboxy terminus" | "dna linking" | "rna linking" | "l-rna linking" | "l-dna linking" | "dna oh 5 prime terminus" | "rna oh 5 prime terminus" | "dna oh 3 prime terminus" | "rna oh 3 prime terminus" | "d-saccharide, beta linking" | "d-saccharide, alpha linking" | "l-saccharide, beta linking" | "l-saccharide, alpha linking" | "l-saccharide" | "d-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "l-gamma-peptide, c-delta linking" | "d-gamma-peptide, c-delta linking" | "l-beta-peptide, c-gamma linking" | "d-beta-peptide, c-gamma linking">;
|
|
97
97
|
/**
|
|
98
98
|
* Synonym list for the component.
|
|
99
99
|
*/
|
|
@@ -144,11 +144,11 @@ export declare const CCD_Schema: {
|
|
|
144
144
|
/**
|
|
145
145
|
* This data item identifies if ideal coordinates are missing in this definition.
|
|
146
146
|
*/
|
|
147
|
-
pdbx_ideal_coordinates_missing_flag: Schema.Aliased<"
|
|
147
|
+
pdbx_ideal_coordinates_missing_flag: Schema.Aliased<"y" | "n">;
|
|
148
148
|
/**
|
|
149
149
|
* This data item identifies if model coordinates are missing in this definition.
|
|
150
150
|
*/
|
|
151
|
-
pdbx_model_coordinates_missing_flag: Schema.Aliased<"
|
|
151
|
+
pdbx_model_coordinates_missing_flag: Schema.Aliased<"y" | "n">;
|
|
152
152
|
/**
|
|
153
153
|
* Date component was added to database.
|
|
154
154
|
*/
|
|
@@ -165,7 +165,7 @@ export declare const CCD_Schema: {
|
|
|
165
165
|
* This data item identifies the deposition site that processed
|
|
166
166
|
* this chemical component defintion.
|
|
167
167
|
*/
|
|
168
|
-
pdbx_processing_site: Schema.Aliased<"RCSB" | "
|
|
168
|
+
pdbx_processing_site: Schema.Aliased<"RCSB" | "PDBE" | "PDBJ" | "PDBC" | "EBI">;
|
|
169
169
|
};
|
|
170
170
|
/**
|
|
171
171
|
* Data items in the CHEM_COMP_ATOM category record details about
|
|
@@ -269,15 +269,15 @@ export declare const CCD_Schema: {
|
|
|
269
269
|
/**
|
|
270
270
|
* The chiral configuration of the atom that is a chiral center.
|
|
271
271
|
*/
|
|
272
|
-
pdbx_stereo_config: Schema.Aliased<"
|
|
272
|
+
pdbx_stereo_config: Schema.Aliased<"s" | "r" | "n">;
|
|
273
273
|
/**
|
|
274
274
|
* A flag indicating an aromatic atom.
|
|
275
275
|
*/
|
|
276
|
-
pdbx_aromatic_flag: Schema.Aliased<"
|
|
276
|
+
pdbx_aromatic_flag: Schema.Aliased<"y" | "n">;
|
|
277
277
|
/**
|
|
278
278
|
* A flag indicating a leaving atom.
|
|
279
279
|
*/
|
|
280
|
-
pdbx_leaving_atom_flag: Schema.Aliased<"
|
|
280
|
+
pdbx_leaving_atom_flag: Schema.Aliased<"y" | "n">;
|
|
281
281
|
};
|
|
282
282
|
/**
|
|
283
283
|
* Data items in the CHEM_COMP_BOND category record details about
|
|
@@ -318,11 +318,11 @@ export declare const CCD_Schema: {
|
|
|
318
318
|
/**
|
|
319
319
|
* Stereochemical configuration across a double bond.
|
|
320
320
|
*/
|
|
321
|
-
pdbx_stereo_config: Schema.Aliased<"
|
|
321
|
+
pdbx_stereo_config: Schema.Aliased<"z" | "n" | "e">;
|
|
322
322
|
/**
|
|
323
323
|
* A flag indicating an aromatic bond.
|
|
324
324
|
*/
|
|
325
|
-
pdbx_aromatic_flag: Schema.Aliased<"
|
|
325
|
+
pdbx_aromatic_flag: Schema.Aliased<"y" | "n">;
|
|
326
326
|
};
|
|
327
327
|
/**
|
|
328
328
|
* Data items in the CHEM_COMP_DESCRIPTOR category provide
|
|
@@ -342,7 +342,7 @@ export declare const CCD_Schema: {
|
|
|
342
342
|
/**
|
|
343
343
|
* This data item contains the descriptor type.
|
|
344
344
|
*/
|
|
345
|
-
type: Schema.Aliased<"
|
|
345
|
+
type: Schema.Aliased<"smiles_cannonical" | "smiles_canonical" | "smiles" | "inchi" | "inchi_main" | "inchi_main_formula" | "inchi_main_connect" | "inchi_main_hatom" | "inchi_charge" | "inchi_stereo" | "inchi_isotope" | "inchi_fixedh" | "inchi_reconnect" | "inchikey">;
|
|
346
346
|
/**
|
|
347
347
|
* This data item contains the name of the program
|
|
348
348
|
* or library used to compute the descriptor.
|