diff --git a/src/mol-model-props/pdbe/structure-quality-report.ts b/src/mol-model-props/pdbe/structure-quality-report.ts index e153de014ba3749c37f0700edb55b9f0a01698b3..1950f925299c9d2e8f684e5831dbefe1f36e870c 100644 --- a/src/mol-model-props/pdbe/structure-quality-report.ts +++ b/src/mol-model-props/pdbe/structure-quality-report.ts @@ -119,7 +119,7 @@ export type StructureQualityReportParams = typeof StructureQualityReportParams export type StructureQualityReportProps = PD.Values<StructureQualityReportParams> export const StructureQualityReportProvider: CustomModelProperty.Provider<StructureQualityReportParams, StructureQualityReport> = CustomModelProperty.createProvider({ - label: 'PDBe Structure Quality Report', + label: 'Structure Quality Report', descriptor: CustomPropertyDescriptor<ReportExportContext, any>({ name: 'pdbe_structure_quality_report', cifExport: { diff --git a/src/mol-model-props/pdbe/themes/structure-quality-report.ts b/src/mol-model-props/pdbe/themes/structure-quality-report.ts index a4b23e9eb54470a393a5df10319088adc69b6b74..237eb3dcddb24d57becf92e322dab2657e11bdaf 100644 --- a/src/mol-model-props/pdbe/themes/structure-quality-report.ts +++ b/src/mol-model-props/pdbe/themes/structure-quality-report.ts @@ -72,13 +72,13 @@ export function StructureQualityReportColorTheme(ctx: ThemeDataContext, props: P granularity: 'group', color: color, props: props, - description: 'Assigns residue colors according to the number of issues or a specific issue in the PDBe Validation Report.', + description: 'Assigns residue colors according to the number of quality issues or a specific quality issue. Data from wwPDB Validation Report, obtained via PDBe.', legend: TableLegend(ValidationColorTable) } } export const StructureQualityReportColorThemeProvider: ColorTheme.Provider<Params> = { - label: 'PDBe Structure Quality Report', + label: 'Structure Quality Report', category: 'PDBe', factory: StructureQualityReportColorTheme, getParams: ctx => { diff --git a/src/mol-model-props/rcsb/representations/assembly-symmetry.ts b/src/mol-model-props/rcsb/representations/assembly-symmetry.ts index b2c2d994f281bc48e7d52175fdc73f0e2e427969..e36c0b99dcdabc4a6631197b3689bee074c04b8e 100644 --- a/src/mol-model-props/rcsb/representations/assembly-symmetry.ts +++ b/src/mol-model-props/rcsb/representations/assembly-symmetry.ts @@ -329,5 +329,5 @@ function getCageShape(ctx: RuntimeContext, data: Structure, props: AssemblySymme export type AssemblySymmetryRepresentation = Representation<Structure, AssemblySymmetryParams> export function AssemblySymmetryRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, AssemblySymmetryParams>): AssemblySymmetryRepresentation { - return Representation.createMulti('Symmetry', ctx, getParams, Representation.StateBuilder, AssemblySymmetryVisuals as unknown as Representation.Def<Structure, AssemblySymmetryParams>) + return Representation.createMulti('Assembly Symmetry', ctx, getParams, Representation.StateBuilder, AssemblySymmetryVisuals as unknown as Representation.Def<Structure, AssemblySymmetryParams>) } \ No newline at end of file diff --git a/src/mol-model-props/rcsb/representations/validation-report-clashes.ts b/src/mol-model-props/rcsb/representations/validation-report-clashes.ts index be69dbcda1645c51fda6b31ec0768f2cc15460c4..7f05f21e29f49b49b3192d30de8fa4003c9d6b82 100644 --- a/src/mol-model-props/rcsb/representations/validation-report-clashes.ts +++ b/src/mol-model-props/rcsb/representations/validation-report-clashes.ts @@ -279,8 +279,8 @@ export function ClashesRepresentation(ctx: RepresentationContext, getParams: Rep } export const ClashesRepresentationProvider: StructureRepresentationProvider<ClashesParams> = { - label: 'RCSB Clashes', - description: 'Displays clashes between atoms as disks.', + label: 'Validation Clashes', + description: 'Displays clashes between atoms as disks. Data from wwPDB Validation Report, obtained via RCSB PDB.', factory: ClashesRepresentation, getParams: getClashesParams, defaultValues: PD.getDefaultValues(ClashesParams), diff --git a/src/mol-model-props/rcsb/themes/assembly-symmetry-cluster.ts b/src/mol-model-props/rcsb/themes/assembly-symmetry-cluster.ts index cbab8e1e4645869dcf81445f074bce354bf00abb..292ef5c9510cee816687bf3a0a03c91afd0ef977 100644 --- a/src/mol-model-props/rcsb/themes/assembly-symmetry-cluster.ts +++ b/src/mol-model-props/rcsb/themes/assembly-symmetry-cluster.ts @@ -86,13 +86,13 @@ export function AssemblySymmetryClusterColorTheme(ctx: ThemeDataContext, props: color, props, contextHash, - description: 'Assigns chain colors according to assembly symmetry cluster membership.', + description: 'Assigns chain colors according to assembly symmetry cluster membership calculated with BioJava and obtained via RCSB PDB.', legend } } export const AssemblySymmetryClusterColorThemeProvider: ColorTheme.Provider<AssemblySymmetryClusterColorThemeParams> = { - label: 'RCSB Assembly Symmetry Cluster', + label: 'Assembly Symmetry Cluster', category: 'RCSB', factory: AssemblySymmetryClusterColorTheme, getParams: getAssemblySymmetryClusterColorThemeParams, diff --git a/src/mol-model-props/rcsb/themes/density-fit.ts b/src/mol-model-props/rcsb/themes/density-fit.ts index 319c3c60297e757a40f7c5880c1db54d23e78ec1..f5c7266779b3eada84f59920c175c57edf1b8309 100644 --- a/src/mol-model-props/rcsb/themes/density-fit.ts +++ b/src/mol-model-props/rcsb/themes/density-fit.ts @@ -55,13 +55,13 @@ export function DensityFitColorTheme(ctx: ThemeDataContext, props: {}): ColorThe color, props, contextHash, - description: 'Assigns residue colors according to the density fit using normalized Real Space R (RSRZ) for polymer residues and real space correlation coefficient (RSCC) for ligands. Colors range from poor (RSRZ = 2 or RSCC = 0.678) - to better (RSRZ = 0 or RSCC = 1.0).', + description: 'Assigns residue colors according to the density fit using normalized Real Space R (RSRZ) for polymer residues and real space correlation coefficient (RSCC) for ligands. Colors range from poor (RSRZ = 2 or RSCC = 0.678) - to better (RSRZ = 0 or RSCC = 1.0). Data from wwPDB Validation Report, obtained via RCSB PDB.', legend: scaleRsrz.legend } } export const DensityFitColorThemeProvider: ColorTheme.Provider<{}> = { - label: 'RCSB Density Fit', + label: 'Density Fit', category: 'RCSB', factory: DensityFitColorTheme, getParams: () => ({}), diff --git a/src/mol-model-props/rcsb/themes/geometry-quality.ts b/src/mol-model-props/rcsb/themes/geometry-quality.ts index ca6d54e3507eebe3a716fdb56e70f272864985d2..4ae2c0ca045030f2dcea4fe3452ccd6ade28f350 100644 --- a/src/mol-model-props/rcsb/themes/geometry-quality.ts +++ b/src/mol-model-props/rcsb/themes/geometry-quality.ts @@ -95,13 +95,13 @@ export function GeometryQualityColorTheme(ctx: ThemeDataContext, props: PD.Value color, props, contextHash, - description: 'Assigns residue colors according to the number of (filtered) geometry issues.', + description: 'Assigns residue colors according to the number of (filtered) geometry issues. Data from wwPDB Validation Report, obtained via RCSB PDB.', legend: ColorLegend } } export const GeometryQualityColorThemeProvider: ColorTheme.Provider<GeometricQualityColorThemeParams> = { - label: 'RCSB Geometry Quality', + label: 'Geometry Quality', category: 'RCSB', factory: GeometryQualityColorTheme, getParams: getGeometricQualityColorThemeParams, diff --git a/src/mol-model-props/rcsb/themes/random-coil-index.ts b/src/mol-model-props/rcsb/themes/random-coil-index.ts index c8a7e90f21bbbd3c54f40048a7312dbe0c21c85f..51e62a32eed81d7f1c52ecdcd14c0c984ef486e3 100644 --- a/src/mol-model-props/rcsb/themes/random-coil-index.ts +++ b/src/mol-model-props/rcsb/themes/random-coil-index.ts @@ -46,13 +46,13 @@ export function RandomCoilIndexColorTheme(ctx: ThemeDataContext, props: {}): Col color, props, contextHash, - description: 'Assigns residue colors according to the Random Coil Index value.', + description: 'Assigns residue colors according to the Random Coil Index value. Data from wwPDB Validation Report, obtained via RCSB PDB.', legend: scale.legend } } export const RandomCoilIndexColorThemeProvider: ColorTheme.Provider<{}> = { - label: 'RCSB Random Coil Index', + label: 'Random Coil Index', category: 'RCSB', factory: RandomCoilIndexColorTheme, getParams: () => ({}), diff --git a/src/mol-model-props/rcsb/validation-report.ts b/src/mol-model-props/rcsb/validation-report.ts index 67e22faa6483a82917b7144cbb354a1ef6a2b20a..307c05dc428375e0ecfe5da2a6a0e7ee95578170 100644 --- a/src/mol-model-props/rcsb/validation-report.ts +++ b/src/mol-model-props/rcsb/validation-report.ts @@ -162,7 +162,7 @@ export type ValidationReportParams = typeof ValidationReportParams export type ValidationReportProps = PD.Values<ValidationReportParams> export const ValidationReportProvider: CustomModelProperty.Provider<ValidationReportParams, ValidationReport> = CustomModelProperty.createProvider({ - label: 'RCSB Validation Report', + label: 'Validation Report', descriptor: CustomPropertyDescriptor({ name: 'rcsb_validation_report', symbols: ValidationReport.symbols diff --git a/src/mol-plugin/behavior/dynamic/custom-props/pdbe/structure-quality-report.ts b/src/mol-plugin/behavior/dynamic/custom-props/pdbe/structure-quality-report.ts index 69742b2992896625fd383526de1a7e8183c90520..ce22b7c29bed4f7e5215c66bec5bbfdbdc47476e 100644 --- a/src/mol-plugin/behavior/dynamic/custom-props/pdbe/structure-quality-report.ts +++ b/src/mol-plugin/behavior/dynamic/custom-props/pdbe/structure-quality-report.ts @@ -15,7 +15,10 @@ import { PluginBehavior } from '../../../behavior'; export const PDBeStructureQualityReport = PluginBehavior.create<{ autoAttach: boolean, showTooltip: boolean }>({ name: 'pdbe-structure-quality-report-prop', category: 'custom-props', - display: { name: 'PDBe Structure Quality Report' }, + display: { + name: 'Structure Quality Report', + description: 'Data from wwPDB Validation Report, obtained via PDBe.' + }, ctor: class extends PluginBehavior.Handler<{ autoAttach: boolean, showTooltip: boolean }> { private provider = StructureQualityReportProvider @@ -32,8 +35,8 @@ export const PDBeStructureQualityReport = PluginBehavior.create<{ autoAttach: bo const se = StructureElement.Location.create(loci.structure, u, u.elements[OrderedSet.getAt(e.indices, 0)]); const issues = StructureQualityReport.getIssues(se); - if (issues.length === 0) return 'PDBe Validation: No Issues'; - return `PDBe Validation: ${issues.join(', ')}`; + if (issues.length === 0) return 'Validation: No Issues'; + return `Validation: ${issues.join(', ')}`; default: return void 0; } diff --git a/src/mol-plugin/behavior/dynamic/custom-props/rcsb/assembly-symmetry.ts b/src/mol-plugin/behavior/dynamic/custom-props/rcsb/assembly-symmetry.ts index 9b917dc439a51a344213de4fec42f9aa5063b8a5..32aeba1bd6b85eec5bbd8d2580a64fc0686b1900 100644 --- a/src/mol-plugin/behavior/dynamic/custom-props/rcsb/assembly-symmetry.ts +++ b/src/mol-plugin/behavior/dynamic/custom-props/rcsb/assembly-symmetry.ts @@ -19,7 +19,10 @@ const Tag = AssemblySymmetry.Tag export const RCSBAssemblySymmetry = PluginBehavior.create<{ autoAttach: boolean }>({ name: 'rcsb-assembly-symmetry-prop', category: 'custom-props', - display: { name: 'RCSB Assembly Symmetry' }, + display: { + name: 'Assembly Symmetry', + description: 'Assembly Symmetry data calculated with BioJava, obtained via RCSB PDB.' + }, ctor: class extends PluginBehavior.Handler<{ autoAttach: boolean }> { private provider = AssemblySymmetryProvider @@ -49,14 +52,17 @@ export const RCSBAssemblySymmetry = PluginBehavior.create<{ autoAttach: boolean }); const InitAssemblySymmetry3D = StateAction.build({ - display: { name: 'RCSB Assembly Symmetry' }, + display: { + name: 'Assembly Symmetry', + description: 'Initialize Assembly Symmetry axes and cage. Data calculated with BioJava, obtained via RCSB PDB.' + }, from: PluginStateObject.Molecule.Structure, isApplicable: (a) => AssemblySymmetry.isApplicable(a.data) -})(({ a, ref, state }, plugin: PluginContext) => Task.create('Init RCSB Assembly Symmetry', async ctx => { +})(({ a, ref, state }, plugin: PluginContext) => Task.create('Init Assembly Symmetry', async ctx => { try { await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data) } catch(e) { - plugin.log.error(`RCSB Assembly Symmetry: ${e}`) + plugin.log.error(`Assembly Symmetry: ${e}`) return } const tree = state.build().to(ref).apply(AssemblySymmetry3D); @@ -68,7 +74,10 @@ export { AssemblySymmetry3D } type AssemblySymmetry3D = typeof AssemblySymmetry3D const AssemblySymmetry3D = PluginStateTransform.BuiltIn({ name: Tag.Representation, - display: 'RCSB Assembly Symmetry', + display: { + name: 'Assembly Symmetry', + description: 'Assembly Symmetry axes and cage. Data calculated with BioJava, obtained via RCSB PDB.' + }, from: PluginStateObject.Molecule.Structure, to: PluginStateObject.Shape.Representation3D, params: (a) => { @@ -82,7 +91,7 @@ const AssemblySymmetry3D = PluginStateTransform.BuiltIn({ return true; }, apply({ a, params }, plugin: PluginContext) { - return Task.create('RCSB Assembly Symmetry', async ctx => { + return Task.create('Assembly Symmetry', async ctx => { await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data) const assemblySymmetry = AssemblySymmetryProvider.get(a.data).value if (!assemblySymmetry || assemblySymmetry.length === 0) { @@ -95,7 +104,7 @@ const AssemblySymmetry3D = PluginStateTransform.BuiltIn({ }); }, update({ a, b, newParams }, plugin: PluginContext) { - return Task.create('RCSB Assembly Symmetry', async ctx => { + return Task.create('Assembly Symmetry', async ctx => { await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data) const assemblySymmetry = AssemblySymmetryProvider.get(a.data).value if (!assemblySymmetry || assemblySymmetry.length === 0) { diff --git a/src/mol-plugin/behavior/dynamic/custom-props/rcsb/validation-report.ts b/src/mol-plugin/behavior/dynamic/custom-props/rcsb/validation-report.ts index b893a1b067ef8368fc2919dd9b68dcab797d035f..94b90517cc7f6da20f045dcce6f745acb00e1afd 100644 --- a/src/mol-plugin/behavior/dynamic/custom-props/rcsb/validation-report.ts +++ b/src/mol-plugin/behavior/dynamic/custom-props/rcsb/validation-report.ts @@ -21,7 +21,10 @@ const Tag = ValidationReport.Tag export const RCSBValidationReport = PluginBehavior.create<{ autoAttach: boolean, showTooltip: boolean }>({ name: 'rcsb-validation-report-prop', category: 'custom-props', - display: { name: 'RCSB Validation Report' }, + display: { + name: 'Validation Report', + description: 'Data from wwPDB Validation Report, obtained via RCSB PDB.' + }, ctor: class extends PluginBehavior.Handler<{ autoAttach: boolean, showTooltip: boolean }> { private provider = ValidationReportProvider @@ -99,7 +102,7 @@ function geometryQualityLabel(loci: Loci): string | undefined { if (angles) angles.forEach(a => issues.add(angleOutliers.data[a].tag)) if (issues.size === 0) { - return `RCSB Geometry Quality <small>(1 Atom)</small>: no issues`; + return `Geometry Quality <small>(1 Atom)</small>: no issues`; } const summary: string[] = []