molstar 3.0.2 → 3.3.0

package/lib/commonjs/mol-plugin-ui/structure/quick-styles.d.ts

@@ -0,0 +1,25 @@
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+/// <reference types="react" />
+import { CollapsableControls, PurePluginUIComponent } from '../base';
+import { MagicWandSvg } from '../controls/icons';
+export declare class StructureQuickStylesControls extends CollapsableControls {
+    defaultState(): {
+        isCollapsed: boolean;
+        header: string;
+        brand: {
+            accent: "gray";
+            svg: typeof MagicWandSvg;
+        };
+    };
+    renderControls(): JSX.Element;
+}
+export declare class QuickStyles extends PurePluginUIComponent {
+    default(): Promise<void>;
+    illustrative(): Promise<void>;
+    stylized(): Promise<void>;
+    render(): JSX.Element;
+}

package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js

@@ -0,0 +1,130 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.QuickStyles = exports.StructureQuickStylesControls = void 0;
+var tslib_1 = require("tslib");
+var jsx_runtime_1 = require("react/jsx-runtime");
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+var representation_preset_1 = require("../../mol-plugin-state/builder/structure/representation-preset");
+var color_1 = require("../../mol-util/color");
+var base_1 = require("../base");
+var common_1 = require("../controls/common");
+var icons_1 = require("../controls/icons");
+var param_definition_1 = require("../../mol-util/param-definition");
+var postprocessing_1 = require("../../mol-canvas3d/passes/postprocessing");
+var config_1 = require("../../mol-plugin/config");
+var component_1 = require("../../mol-plugin-state/manager/structure/component");
+var StructureQuickStylesControls = /** @class */ (function (_super) {
+    (0, tslib_1.__extends)(StructureQuickStylesControls, _super);
+    function StructureQuickStylesControls() {
+        return _super !== null && _super.apply(this, arguments) || this;
+    }
+    StructureQuickStylesControls.prototype.defaultState = function () {
+        return {
+            isCollapsed: false,
+            header: 'Quick Styles',
+            brand: { accent: 'gray', svg: icons_1.MagicWandSvg }
+        };
+    };
+    StructureQuickStylesControls.prototype.renderControls = function () {
+        return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(QuickStyles, {}, void 0) }, void 0);
+    };
+    return StructureQuickStylesControls;
+}(base_1.CollapsableControls));
+exports.StructureQuickStylesControls = StructureQuickStylesControls;
+var QuickStyles = /** @class */ (function (_super) {
+    (0, tslib_1.__extends)(QuickStyles, _super);
+    function QuickStyles() {
+        return _super !== null && _super.apply(this, arguments) || this;
+    }
+    QuickStyles.prototype.default = function () {
+        return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+            var structures, preset, provider, p;
+            return (0, tslib_1.__generator)(this, function (_a) {
+                switch (_a.label) {
+                    case 0:
+                        structures = this.plugin.managers.structure.hierarchy.selection.structures;
+                        preset = this.plugin.config.get(config_1.PluginConfig.Structure.DefaultRepresentationPreset) || representation_preset_1.PresetStructureRepresentations.auto.id;
+                        provider = this.plugin.builders.structure.representation.resolveProvider(preset);
+                        return [4 /*yield*/, this.plugin.managers.structure.component.applyPreset(structures, provider)];
+                    case 1:
+                        _a.sent();
+                        this.plugin.managers.structure.component.setOptions(param_definition_1.ParamDefinition.getDefaultValues(component_1.StructureComponentManager.OptionsParams));
+                        if (this.plugin.canvas3d) {
+                            p = param_definition_1.ParamDefinition.getDefaultValues(postprocessing_1.PostprocessingParams);
+                            this.plugin.canvas3d.setProps({
+                                postprocessing: { outline: p.outline, occlusion: p.occlusion }
+                            });
+                        }
+                        return [2 /*return*/];
+                }
+            });
+        });
+    };
+    QuickStyles.prototype.illustrative = function () {
+        return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+            var structures;
+            return (0, tslib_1.__generator)(this, function (_a) {
+                switch (_a.label) {
+                    case 0:
+                        structures = this.plugin.managers.structure.hierarchy.selection.structures;
+                        return [4 /*yield*/, this.plugin.managers.structure.component.applyPreset(structures, representation_preset_1.PresetStructureRepresentations.illustrative)];
+                    case 1:
+                        _a.sent();
+                        if (this.plugin.canvas3d) {
+                            this.plugin.canvas3d.setProps({
+                                postprocessing: {
+                                    outline: {
+                                        name: 'on',
+                                        params: { scale: 1, color: (0, color_1.Color)(0x000000), threshold: 0.25 }
+                                    },
+                                    occlusion: {
+                                        name: 'on',
+                                        params: { bias: 0.8, blurKernelSize: 15, radius: 5, samples: 32, resolutionScale: 1 }
+                                    },
+                                }
+                            });
+                        }
+                        return [2 /*return*/];
+                }
+            });
+        });
+    };
+    QuickStyles.prototype.stylized = function () {
+        return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+            var pp;
+            return (0, tslib_1.__generator)(this, function (_a) {
+                this.plugin.managers.structure.component.setOptions((0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.plugin.managers.structure.component.state.options), { ignoreLight: true }));
+                if (this.plugin.canvas3d) {
+                    pp = this.plugin.canvas3d.props.postprocessing;
+                    this.plugin.canvas3d.setProps({
+                        postprocessing: {
+                            outline: {
+                                name: 'on',
+                                params: pp.outline.name === 'on'
+                                    ? pp.outline.params
+                                    : { scale: 1, color: (0, color_1.Color)(0x000000), threshold: 0.33 }
+                            },
+                            occlusion: {
+                                name: 'on',
+                                params: pp.occlusion.name === 'on'
+                                    ? pp.occlusion.params
+                                    : { bias: 0.8, blurKernelSize: 15, radius: 5, samples: 32, resolutionScale: 1 }
+                            },
+                        }
+                    });
+                }
+                return [2 /*return*/];
+            });
+        });
+    };
+    QuickStyles.prototype.render = function () {
+        var _this = this;
+        return (0, jsx_runtime_1.jsxs)("div", (0, tslib_1.__assign)({ className: 'msp-flex-row' }, { children: [(0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ noOverflow: true, title: 'Applies default representation preset. Set outline and occlusion effects to defaults.', onClick: function () { return _this.default(); }, style: { width: 'auto' } }, { children: "Default" }), void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ noOverflow: true, title: 'Applies no representation preset. Enables outline and occlusion effects. Enables ignore-light representation parameter.', onClick: function () { return _this.stylized(); }, style: { width: 'auto' } }, { children: "Stylized" }), void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ noOverflow: true, title: 'Applies illustrative representation preset. Enables outline and occlusion effects. Enables ignore-light parameter.', onClick: function () { return _this.illustrative(); }, style: { width: 'auto' } }, { children: "Illustrative" }), void 0)] }), void 0);
+    };
+    return QuickStyles;
+}(base_1.PurePluginUIComponent));
+exports.QuickStyles = QuickStyles;

package/lib/commonjs/mol-plugin-ui/structure/selection.js

@@ -351,4 +351,3 @@ function ResidueListSelectionHelper(_a) {
     };
     return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ResidueListIdTypeParams, values: state, onChangeValues: setState, onEnter: apply }, void 0), (0, jsx_runtime_1.jsxs)(common_1.Button, (0, tslib_1.__assign)({ className: 'msp-btn-commit msp-btn-commit-on', disabled: state.identifiers.trim().length === 0, onClick: apply, style: { marginTop: '1px' } }, { children: [(0, string_1.capitalize)(modifier), " Selection"] }), void 0)] }, void 0);
 }
-//# sourceMappingURL=selection.js.map

package/lib/commonjs/mol-plugin-ui/structure/source.js

@@ -337,4 +337,3 @@ var StructureSourceControls = /** @class */ (function (_super) {
     return StructureSourceControls;
 }(base_1.CollapsableControls));
 exports.StructureSourceControls = StructureSourceControls;
-//# sourceMappingURL=source.js.map

package/lib/commonjs/mol-plugin-ui/structure/superposition.d.ts

@@ -1,7 +1,8 @@
 /**
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
  */
 /// <reference types="react" />
 import { CollapsableControls, PurePluginUIComponent } from '../base';
@@ -26,6 +27,7 @@ export declare class StructureSuperpositionControls extends CollapsableControls
 }
 export declare const StructureSuperpositionParams: {
     alignSequences: PD.BooleanParam;
+    traceOnly: PD.BooleanParam;
 };
 export declare type StructureSuperpositionOptions = PD.ValuesFor<typeof StructureSuperpositionParams>;
 declare type SuperpositionControlsState = {
@@ -50,6 +52,7 @@ export declare class SuperpositionControls extends PurePluginUIComponent<{}, Sup
     superposeChains: () => Promise<void>;
     superposeAtoms: () => Promise<void>;
     superposeDb: () => Promise<void>;
+    cameraReset(): Promise<void>;
     toggleByChains: () => void;
     toggleByAtoms: () => void;
     toggleOptions: () => void;

package/lib/commonjs/mol-plugin-ui/structure/superposition.js

@@ -4,9 +4,10 @@ exports.SuperpositionControls = exports.StructureSuperpositionParams = exports.S
 var tslib_1 = require("tslib");
 var jsx_runtime_1 = require("react/jsx-runtime");
 /**
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
  */
 var base_1 = require("../base");
 var icons_1 = require("../controls/icons");
@@ -21,9 +22,9 @@ var label_1 = require("../../mol-theme/label");
 var parameters_1 = require("../controls/parameters");
 var string_1 = require("../../mol-util/string");
 var selection_1 = require("./selection");
-var superposition_db_mapping_1 = require("../../mol-model/structure/structure/util/superposition-db-mapping");
+var superposition_sifts_mapping_1 = require("../../mol-model/structure/structure/util/superposition-sifts-mapping");
 var commands_1 = require("../../mol-plugin/commands");
-var best_database_mapping_1 = require("../../mol-model-props/sequence/best-database-mapping");
+var sifts_mapping_1 = require("../../mol-model-props/sequence/sifts-mapping");
 var StructureSuperpositionControls = /** @class */ (function (_super) {
     (0, tslib_1.__extends)(StructureSuperpositionControls, _super);
     function StructureSuperpositionControls() {
@@ -50,7 +51,8 @@ var StructureSuperpositionControls = /** @class */ (function (_super) {
 }(base_1.CollapsableControls));
 exports.StructureSuperpositionControls = StructureSuperpositionControls;
 exports.StructureSuperpositionParams = {
-    alignSequences: param_definition_1.ParamDefinition.Boolean(true, { isEssential: true, description: 'Perform a sequence alignment and use the aligned residue pairs to guide the 3D superposition.' }),
+    alignSequences: param_definition_1.ParamDefinition.Boolean(true, { isEssential: true, description: 'For Chain-based 3D superposition, perform a sequence alignment and use the aligned residue pairs to guide the 3D superposition.' }),
+    traceOnly: param_definition_1.ParamDefinition.Boolean(true, { description: 'For Chain- and Uniprot-based 3D superposition, base superposition only on CA (and equivalent) atoms.' })
 };
 var DefaultStructureSuperpositionOptions = param_definition_1.ParamDefinition.getDefaultValues(exports.StructureSuperpositionParams);
 var SuperpositionTag = 'SuperpositionTransform';
@@ -67,14 +69,14 @@ var SuperpositionControls = /** @class */ (function (_super) {
             options: DefaultStructureSuperpositionOptions
         };
         _this.superposeChains = function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
-            var query, entries, traceLocis, transforms, eA, i, il, eB, _a, bTransform, rmsd, labelA, labelB;
+            var query, entries, locis, transforms, eA, i, il, eB, _a, bTransform, rmsd, labelA, labelB;
             var _this = this;
             return (0, tslib_1.__generator)(this, function (_b) {
                 switch (_b.label) {
                     case 0:
-                        query = structure_selection_query_1.StructureSelectionQueries.trace.query;
+                        query = (this.state.options.traceOnly ? structure_selection_query_1.StructureSelectionQueries.trace : structure_selection_query_1.StructureSelectionQueries.polymer).query;
                         entries = this.chainEntries;
-                        traceLocis = entries.map(function (e, i) {
+                        locis = entries.map(function (e, i) {
                             var s = structure_1.StructureElement.Loci.toStructure(e.loci);
                             var loci = structure_1.StructureSelection.toLociWithSourceUnits(query(new structure_1.QueryContext(s)));
                             return structure_1.StructureElement.Loci.remap(loci, i === 0
@@ -82,10 +84,10 @@ var SuperpositionControls = /** @class */ (function (_super) {
                                 : loci.structure.root);
                         });
                         transforms = this.state.options.alignSequences
-                            ? (0, superposition_1.alignAndSuperpose)(traceLocis)
-                            : (0, superposition_1.superpose)(traceLocis);
+                            ? (0, superposition_1.alignAndSuperpose)(locis)
+                            : (0, superposition_1.superpose)(locis);
                         eA = entries[0];
-                        i = 1, il = traceLocis.length;
+                        i = 1, il = locis.length;
                         _b.label = 1;
                     case 1:
                         if (!(i < il)) return [3 /*break*/, 4];
@@ -101,7 +103,10 @@ var SuperpositionControls = /** @class */ (function (_super) {
                     case 3:
                         ++i;
                         return [3 /*break*/, 1];
-                    case 4: return [2 /*return*/];
+                    case 4: return [4 /*yield*/, this.cameraReset()];
+                    case 5:
+                        _b.sent();
+                        return [2 /*return*/];
                 }
             });
         }); };
@@ -136,39 +141,57 @@ var SuperpositionControls = /** @class */ (function (_super) {
                     case 3:
                         ++i;
                         return [3 /*break*/, 1];
-                    case 4: return [2 /*return*/];
+                    case 4: return [4 /*yield*/, this.cameraReset()];
+                    case 5:
+                        _b.sent();
+                        return [2 /*return*/];
                 }
             });
         }); };
         _this.superposeDb = function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
-            var input, transforms, rmsd, _i, transforms_2, xform;
-            return (0, tslib_1.__generator)(this, function (_a) {
-                switch (_a.label) {
+            var input, traceOnly, structures, _a, entries, failedPairs, zeroOverlapPairs, rmsd, _i, entries_1, xform, formatPairs;
+            return (0, tslib_1.__generator)(this, function (_b) {
+                switch (_b.label) {
                     case 0:
                         input = this.plugin.managers.structure.hierarchy.behaviors.selection.value.structures;
-                        transforms = (0, superposition_db_mapping_1.alignAndSuperposeWithBestDatabaseMapping)(input.map(function (s) { var _a; return (_a = s.cell.obj) === null || _a === void 0 ? void 0 : _a.data; }));
+                        traceOnly = this.state.options.traceOnly;
+                        structures = input.map(function (s) { var _a; return (_a = s.cell.obj) === null || _a === void 0 ? void 0 : _a.data; });
+                        _a = (0, superposition_sifts_mapping_1.alignAndSuperposeWithSIFTSMapping)(structures, { traceOnly: traceOnly }), entries = _a.entries, failedPairs = _a.failedPairs, zeroOverlapPairs = _a.zeroOverlapPairs;
                         rmsd = 0;
-                        _i = 0, transforms_2 = transforms;
-                        _a.label = 1;
+                        _i = 0, entries_1 = entries;
+                        _b.label = 1;
                     case 1:
-                        if (!(_i < transforms_2.length)) return [3 /*break*/, 4];
-                        xform = transforms_2[_i];
+                        if (!(_i < entries_1.length)) return [3 /*break*/, 4];
+                        xform = entries_1[_i];
                         return [4 /*yield*/, this.transform(input[xform.other].cell, xform.transform.bTransform)];
                     case 2:
-                        _a.sent();
+                        _b.sent();
                         rmsd += xform.transform.rmsd;
-                        _a.label = 3;
+                        _b.label = 3;
                     case 3:
                         _i++;
                         return [3 /*break*/, 1];
                     case 4:
-                        rmsd /= Math.max(transforms.length - 1, 1);
-                        this.plugin.log.info("Superposed ".concat(input.length, " structures with avg. RMSD ").concat(rmsd.toFixed(2), " \u00C5."));
-                        return [4 /*yield*/, new Promise(function (res) { return requestAnimationFrame(res); })];
+                        rmsd /= Math.max(entries.length - 1, 1);
+                        formatPairs = function (pairs) {
+                            return "[".concat(pairs.map(function (_a) {
+                                var i = _a[0], j = _a[1];
+                                return "(".concat(structures[i].models[0].entryId, ", ").concat(structures[j].models[0].entryId, ")");
+                            }).join(', '), "]");
+                        };
+                        if (zeroOverlapPairs.length) {
+                            this.plugin.log.warn("Superposition: No UNIPROT mapping overlap between structures ".concat(formatPairs(zeroOverlapPairs), "."));
+                        }
+                        if (failedPairs.length) {
+                            this.plugin.log.error("Superposition: Failed to superpose structures ".concat(formatPairs(failedPairs), "."));
+                        }
+                        if (!entries.length) return [3 /*break*/, 6];
+                        this.plugin.log.info("Superposed ".concat(entries.length + 1, " structures with avg. RMSD ").concat(rmsd.toFixed(2), " \u00C5."));
+                        return [4 /*yield*/, this.cameraReset()];
                     case 5:
-                        _a.sent();
-                        commands_1.PluginCommands.Camera.Reset(this.plugin);
-                        return [2 /*return*/];
+                        _b.sent();
+                        _b.label = 6;
+                    case 6: return [2 /*return*/];
                 }
             });
         }); };
@@ -192,7 +215,7 @@ var SuperpositionControls = /** @class */ (function (_super) {
             _this.setState({ isBusy: v });
         });
         this.subscribe(this.plugin.managers.structure.hierarchy.behaviors.selection, function (sel) {
-            _this.setState({ canUseDb: sel.structures.every(function (s) { var _a; return !!((_a = s.cell.obj) === null || _a === void 0 ? void 0 : _a.data) && s.cell.obj.data.models.some(function (m) { return best_database_mapping_1.BestDatabaseSequenceMapping.Provider.isApplicable(m); }); }) });
+            _this.setState({ canUseDb: sel.structures.every(function (s) { var _a; return !!((_a = s.cell.obj) === null || _a === void 0 ? void 0 : _a.data) && s.cell.obj.data.models.some(function (m) { return sifts_mapping_1.SIFTSMapping.Provider.isApplicable(m); }); }) });
         });
     };
     Object.defineProperty(SuperpositionControls.prototype, "selection", {
@@ -230,6 +253,19 @@ var SuperpositionControls = /** @class */ (function (_super) {
             });
         });
     };
+    SuperpositionControls.prototype.cameraReset = function () {
+        return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+            return (0, tslib_1.__generator)(this, function (_a) {
+                switch (_a.label) {
+                    case 0: return [4 /*yield*/, new Promise(function (res) { return requestAnimationFrame(res); })];
+                    case 1:
+                        _a.sent();
+                        commands_1.PluginCommands.Camera.Reset(this.plugin);
+                        return [2 /*return*/];
+                }
+            });
+        });
+    };
     SuperpositionControls.prototype.highlight = function (loci) {
         this.plugin.managers.interactivity.lociHighlights.highlightOnly({ loci: loci }, false);
     };
@@ -321,7 +357,7 @@ var SuperpositionControls = /** @class */ (function (_super) {
         return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [entries.length > 0 && (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-control-offset' }, { children: entries.map(function (e, i) { return _this.atomsLociEntry(e, i); }) }), void 0), entries.length < 2 && (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", (0, tslib_1.__assign)({ className: 'msp-help-description' }, { children: [(0, jsx_runtime_1.jsx)(icons_1.Icon, { svg: icons_1.HelpOutlineSvg, inline: true }, void 0), "Add 1 or more selections (toggle ", (0, jsx_runtime_1.jsx)(selection_1.ToggleSelectionModeButton, { inline: true }, void 0), " mode) from separate structures. Selections must be limited to single atoms."] }), void 0) }), void 0), entries.length > 1 && (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ title: 'Superpose structures by selected atoms.', className: 'msp-btn-commit msp-btn-commit-on', onClick: this.superposeAtoms, style: { marginTop: '1px' } }, { children: "Superpose" }), void 0)] }, void 0);
     };
     SuperpositionControls.prototype.superposeByDbMapping = function () {
-        return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ icon: icons_1.SuperposeChainsSvg, title: 'Superpose structures using database mapping.', className: 'msp-btn msp-btn-block', onClick: this.superposeDb, style: { marginTop: '1px' }, disabled: this.state.isBusy }, { children: "DB" }), void 0) }, void 0);
+        return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ icon: icons_1.SuperposeChainsSvg, title: 'Superpose structures using intersection of residues from SIFTS UNIPROT mapping.', className: 'msp-btn msp-btn-block', onClick: this.superposeDb, style: { marginTop: '1px' }, disabled: this.state.isBusy }, { children: "Uniprot" }), void 0) }, void 0);
     };
     SuperpositionControls.prototype.render = function () {
         return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsxs)("div", (0, tslib_1.__assign)({ className: 'msp-flex-row' }, { children: [(0, jsx_runtime_1.jsx)(common_1.ToggleButton, { icon: icons_1.SuperposeChainsSvg, label: 'Chains', toggle: this.toggleByChains, isSelected: this.state.action === 'byChains', disabled: this.state.isBusy }, void 0), (0, jsx_runtime_1.jsx)(common_1.ToggleButton, { icon: icons_1.SuperposeAtomsSvg, label: 'Atoms', toggle: this.toggleByAtoms, isSelected: this.state.action === 'byAtoms', disabled: this.state.isBusy }, void 0), this.state.canUseDb && this.superposeByDbMapping(), (0, jsx_runtime_1.jsx)(common_1.ToggleButton, { icon: icons_1.TuneSvg, label: '', title: 'Options', toggle: this.toggleOptions, isSelected: this.state.action === 'options', disabled: this.state.isBusy, style: { flex: '0 0 40px', padding: 0 } }, void 0)] }), void 0), this.state.action === 'byChains' && this.addByChains(), this.state.action === 'byAtoms' && this.addByAtoms(), this.state.action === 'options' && (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-control-offset' }, { children: (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: exports.StructureSuperpositionParams, values: this.state.options, onChangeValues: this.setOptions, isDisabled: this.state.isBusy }, void 0) }), void 0)] }, void 0);
@@ -329,4 +365,3 @@ var SuperpositionControls = /** @class */ (function (_super) {
     return SuperpositionControls;
 }(base_1.PurePluginUIComponent));
 exports.SuperpositionControls = SuperpositionControls;
-//# sourceMappingURL=superposition.js.map

package/lib/commonjs/mol-plugin-ui/structure/volume.js

@@ -68,16 +68,16 @@ var VolumeStreamingControls = /** @class */ (function (_super) {
         return !!((_b = (_a = transformers_1.InitVolumeStreaming.definition).isApplicable) === null || _b === void 0 ? void 0 : _b.call(_a, pivot.obj, pivot.transform, this.plugin));
     };
     VolumeStreamingControls.prototype.renderEnable = function () {
-        var _a;
+        var _a, _b;
         var pivot = this.pivot;
         if (!pivot.cell.parent)
             return null;
         var root = mol_state_1.StateSelection.findTagInSubtree(pivot.cell.parent.tree, this.pivot.cell.transform.ref, behavior_1.VolumeStreaming.RootTag);
         var rootCell = root && pivot.cell.parent.cells.get(root);
         var simpleApply = rootCell && rootCell.status === 'error'
-            ? { header: 'Error enabling', icon: icons_1.ErrorSvg, title: rootCell.errorText }
-            : rootCell && ((_a = rootCell.obj) === null || _a === void 0 ? void 0 : _a.data.entries.length) === 0
-                ? { header: 'Error enabling', icon: icons_1.ErrorSvg, title: 'No entry for streaming found' }
+            ? { header: !!rootCell.errorText && ((_a = rootCell.errorText) === null || _a === void 0 ? void 0 : _a.includes('404')) ? 'No Density Data Available' : 'Error Enabling', icon: icons_1.ErrorSvg, title: rootCell.errorText }
+            : rootCell && ((_b = rootCell.obj) === null || _b === void 0 ? void 0 : _b.data.entries.length) === 0
+                ? { header: 'Error Enabling', icon: icons_1.ErrorSvg, title: 'No Entry for Streaming Found' }
                 : { header: 'Enable', icon: icons_1.CheckSvg, title: 'Enable' };
         return (0, jsx_runtime_1.jsx)(apply_action_1.ApplyActionControl, { state: pivot.cell.parent, action: transformers_1.InitVolumeStreaming, initiallyCollapsed: true, nodeRef: pivot.cell.transform.ref, simpleApply: simpleApply }, void 0);
     };
@@ -321,4 +321,3 @@ var VolumeRepresentationControls = /** @class */ (function (_super) {
     };
     return VolumeRepresentationControls;
 }(base_1.PurePluginUIComponent));
-//# sourceMappingURL=volume.js.map

package/lib/commonjs/mol-plugin-ui/task.js

@@ -95,4 +95,3 @@ var OverlayTaskProgress = /** @class */ (function (_super) {
     return OverlayTaskProgress;
 }(base_1.PluginUIComponent));
 exports.OverlayTaskProgress = OverlayTaskProgress;
-//# sourceMappingURL=task.js.map

package/lib/commonjs/mol-plugin-ui/toast.js

@@ -54,4 +54,3 @@ var Toasts = /** @class */ (function (_super) {
     return Toasts;
 }(base_1.PluginUIComponent));
 exports.Toasts = Toasts;
-//# sourceMappingURL=toast.js.map

package/lib/commonjs/mol-plugin-ui/viewport/canvas.js

@@ -55,4 +55,3 @@ var ViewportCanvas = /** @class */ (function (_super) {
     return ViewportCanvas;
 }(base_1.PluginUIComponent));
 exports.ViewportCanvas = ViewportCanvas;
-//# sourceMappingURL=canvas.js.map

package/lib/commonjs/mol-plugin-ui/viewport/help.js

@@ -120,4 +120,3 @@ var HelpContent = /** @class */ (function (_super) {
     return HelpContent;
 }(base_1.PluginUIComponent));
 exports.HelpContent = HelpContent;
-//# sourceMappingURL=help.js.map

package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js

@@ -100,4 +100,3 @@ function CropControls(_a) {
         return null;
     return (0, jsx_runtime_1.jsxs)("div", (0, tslib_1.__assign)({ style: { width: '100%', height: '24px', marginTop: '8px' } }, { children: [(0, jsx_runtime_1.jsx)(common_1.ToggleButton, { icon: icons_1.CropOrginalSvg, title: 'Auto-crop', inline: true, isSelected: cropParams.auto, style: { background: 'transparent', float: 'left', width: 'auto', height: '24px', lineHeight: '24px' }, toggle: function () { return helper.toggleAutocrop(); }, label: 'Auto-crop ' + (cropParams.auto ? 'On' : 'Off') }, void 0), !cropParams.auto && (0, jsx_runtime_1.jsx)(common_1.Button, { icon: icons_1.CropSvg, title: 'Crop', style: { background: 'transparent', float: 'right', height: '24px', lineHeight: '24px', width: '24px', padding: '0' }, onClick: function () { return helper.autocrop(); } }, void 0), !cropParams.auto && !helper.isFullFrame && (0, jsx_runtime_1.jsx)(common_1.Button, { icon: icons_1.CropFreeSvg, title: 'Reset Crop', style: { background: 'transparent', float: 'right', height: '24px', lineHeight: '24px', width: '24px', padding: '0' }, onClick: function () { return helper.resetCrop(); } }, void 0)] }), void 0);
 }
-//# sourceMappingURL=screenshot.js.map

package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js

@@ -152,4 +152,3 @@ var SimpleSettingsMapping = (0, param_mapping_1.ParamMapping)({
         });
     }
 });
-//# sourceMappingURL=simple-settings.js.map

package/lib/commonjs/mol-plugin-ui/viewport.js

@@ -80,4 +80,3 @@ var Logo = function () {
 exports.Logo = Logo;
 var Viewport = function () { return (0, jsx_runtime_1.jsx)(canvas_1.ViewportCanvas, { logo: exports.Logo }, void 0); };
 exports.Viewport = Viewport;
-//# sourceMappingURL=viewport.js.map

package/lib/commonjs/mol-repr/representation.js

@@ -380,4 +380,3 @@ var Representation;
     Representation.fromRenderObject = fromRenderObject;
 })(Representation || (Representation = {}));
 exports.Representation = Representation;
-//# sourceMappingURL=representation.js.map

package/lib/commonjs/mol-repr/shape/loci/angle.js

@@ -173,4 +173,3 @@ function AngleRepresentation(ctx, getParams) {
     return representation_2.Representation.createMulti('Angle', ctx, getParams, representation_2.Representation.StateBuilder, AngleVisuals);
 }
 exports.AngleRepresentation = AngleRepresentation;
-//# sourceMappingURL=angle.js.map

package/lib/commonjs/mol-repr/shape/loci/common.js

@@ -17,4 +17,3 @@ exports.MeasurementRepresentationCommonTextParams = {
     textSize: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0.1, max: 10, step: 0.1 }, { isEssential: true }),
 };
 exports.LociLabelTextParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, text_1.Text.Params), exports.MeasurementRepresentationCommonTextParams), { borderWidth: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 0.5, step: 0.01 }) });
-//# sourceMappingURL=common.js.map

package/lib/commonjs/mol-repr/shape/loci/dihedral.js

@@ -254,4 +254,3 @@ function DihedralRepresentation(ctx, getParams) {
     return representation_2.Representation.createMulti('Dihedral', ctx, getParams, representation_2.Representation.StateBuilder, DihedralVisuals);
 }
 exports.DihedralRepresentation = DihedralRepresentation;
-//# sourceMappingURL=dihedral.js.map

package/lib/commonjs/mol-repr/shape/loci/distance.js

@@ -93,4 +93,3 @@ function DistanceRepresentation(ctx, getParams) {
     return representation_2.Representation.createMulti('Distance', ctx, getParams, representation_2.Representation.StateBuilder, DistanceVisuals);
 }
 exports.DistanceRepresentation = DistanceRepresentation;
-//# sourceMappingURL=distance.js.map

package/lib/commonjs/mol-repr/shape/loci/label.js

@@ -62,4 +62,3 @@ function LabelRepresentation(ctx, getParams) {
     return representation_2.Representation.createMulti('Label', ctx, getParams, representation_2.Representation.StateBuilder, LabelVisuals);
 }
 exports.LabelRepresentation = LabelRepresentation;
-//# sourceMappingURL=label.js.map

package/lib/commonjs/mol-repr/shape/loci/orientation.js

@@ -100,4 +100,3 @@ function OrientationRepresentation(ctx, getParams) {
     return repr;
 }
 exports.OrientationRepresentation = OrientationRepresentation;
-//# sourceMappingURL=orientation.js.map

package/lib/commonjs/mol-repr/shape/loci/plane.js

@@ -58,4 +58,3 @@ function PlaneRepresentation(ctx, getParams) {
     return repr;
 }
 exports.PlaneRepresentation = PlaneRepresentation;
-//# sourceMappingURL=plane.js.map

package/lib/commonjs/mol-repr/shape/model/unitcell.js

@@ -78,4 +78,3 @@ function UnitcellRepresentation(ctx, getParams) {
     return representation_2.Representation.createMulti('Unit Cell', ctx, getParams, representation_2.Representation.StateBuilder, UnitcellVisuals);
 }
 exports.UnitcellRepresentation = UnitcellRepresentation;
-//# sourceMappingURL=unitcell.js.map

package/lib/commonjs/mol-repr/shape/representation.js

@@ -272,4 +272,3 @@ function eachShapeGroup(loci, shape, apply) {
     }
     return changed;
 }
-//# sourceMappingURL=representation.js.map

package/lib/commonjs/mol-repr/structure/complex-representation.js

@@ -179,4 +179,3 @@ function ComplexRepresentation(label, ctx, getParams, visualCtor) {
     };
 }
 exports.ComplexRepresentation = ComplexRepresentation;
-//# sourceMappingURL=complex-representation.js.map

package/lib/commonjs/mol-repr/structure/complex-visual.js

@@ -322,4 +322,3 @@ function ComplexTextureMeshVisual(builder, materialId) {
         }, geometryUtils: texture_mesh_1.TextureMesh.Utils }), materialId);
 }
 exports.ComplexTextureMeshVisual = ComplexTextureMeshVisual;
-//# sourceMappingURL=complex-visual.js.map

package/lib/commonjs/mol-repr/structure/params.js

@@ -34,4 +34,3 @@ exports.StructureLinesParams = (0, tslib_1.__assign)({}, lines_1.Lines.Params);
 exports.StructureTextParams = (0, tslib_1.__assign)({}, text_1.Text.Params);
 exports.StructureDirectVolumeParams = (0, tslib_1.__assign)({}, direct_volume_1.DirectVolume.Params);
 exports.StructureTextureMeshParams = (0, tslib_1.__assign)({}, texture_mesh_1.TextureMesh.Params);
-//# sourceMappingURL=params.js.map

package/lib/commonjs/mol-repr/structure/registry.d.ts

@@ -13,7 +13,7 @@ export declare namespace StructureRepresentationRegistry {
     export const BuiltIn: {
         cartoon: import("./representation").StructureRepresentationProvider<{
             sizeFactor: import("../../mol-util/param-definition").ParamDefinition.Numeric;
-            visuals: import("../../mol-util/param-definition").ParamDefinition.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-block" | "nucleotide-ring" | "direction-wedge">;
+            visuals: import("../../mol-util/param-definition").ParamDefinition.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-ring" | "nucleotide-block" | "direction-wedge">;
             bumpFrequency: import("../../mol-util/param-definition").ParamDefinition.Numeric;
             unitKinds: import("../../mol-util/param-definition").ParamDefinition.MultiSelect<"spheres" | "gaussians" | "atomic">;
             includeParent: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;

package/lib/commonjs/mol-repr/structure/registry.js

@@ -56,4 +56,3 @@ exports.StructureRepresentationRegistry = StructureRepresentationRegistry;
     };
 })(StructureRepresentationRegistry = exports.StructureRepresentationRegistry || (exports.StructureRepresentationRegistry = {}));
 exports.StructureRepresentationRegistry = StructureRepresentationRegistry;
-//# sourceMappingURL=registry.js.map

package/lib/commonjs/mol-repr/structure/representation/backbone.js

@@ -49,4 +49,3 @@ exports.BackboneRepresentationProvider = (0, representation_1.StructureRepresent
     defaultSizeTheme: { name: 'uniform' },
     isApplicable: function (structure) { return structure.polymerResidueCount > 0; },
 });
-//# sourceMappingURL=backbone.js.map

package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js

@@ -48,4 +48,3 @@ exports.BallAndStickRepresentationProvider = (0, representation_1.StructureRepre
         return oldProps.includeParent !== newProps.includeParent;
     }
 });
-//# sourceMappingURL=ball-and-stick.js.map

package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js

@@ -43,4 +43,3 @@ exports.CarbohydrateRepresentationProvider = (0, representation_2.StructureRepre
         return structure.models.some(function (m) { return structure_1.Model.hasCarbohydrate(m); });
     }
 });
-//# sourceMappingURL=carbohydrate.js.map

package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -10,7 +10,7 @@ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
 import { StructureRepresentation, StructureRepresentationProvider } from '../representation';
 export declare const CartoonParams: {
     sizeFactor: PD.Numeric;
-    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-block" | "nucleotide-ring" | "direction-wedge">;
+    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-ring" | "nucleotide-block" | "direction-wedge">;
     bumpFrequency: PD.Numeric;
     unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
@@ -48,7 +48,7 @@ export declare const CartoonParams: {
 export declare type CartoonParams = typeof CartoonParams;
 export declare function getCartoonParams(ctx: ThemeRegistryContext, structure: Structure): {
     sizeFactor: PD.Numeric;
-    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-block" | "nucleotide-ring" | "direction-wedge">;
+    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-ring" | "nucleotide-block" | "direction-wedge">;
     bumpFrequency: PD.Numeric;
     unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
@@ -87,7 +87,7 @@ export declare type CartoonRepresentation = StructureRepresentation<CartoonParam
 export declare function CartoonRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, CartoonParams>): CartoonRepresentation;
 export declare const CartoonRepresentationProvider: StructureRepresentationProvider<{
     sizeFactor: PD.Numeric;
-    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-block" | "nucleotide-ring" | "direction-wedge">;
+    visuals: PD.MultiSelect<"polymer-trace" | "polymer-gap" | "nucleotide-ring" | "nucleotide-block" | "direction-wedge">;
     bumpFrequency: PD.Numeric;
     unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;