molstar 3.2.0 → 3.4.0

package/lib/commonjs/mol-model/structure/model/model.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -115,6 +115,10 @@ export declare namespace Model {
         get(model: Model): CoordinatesHistory | undefined;
         set(model: Model, coordinatesHistory: CoordinatesHistory): CoordinatesHistory;
     };
+    const CoarseGrained: {
+        get(model: Model): boolean | undefined;
+        set(model: Model, coarseGrained: boolean): boolean;
+    };
     /**
      * Has typical coarse grained atom names (BB, SC1) or less than three times as many
      * atoms as polymer residues (C-alpha only models).

package/lib/commonjs/mol-model/structure/model/model.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -30,9 +30,10 @@ var Model;
         var srcIndex = model.atomicHierarchy.atomSourceIndex;
         var isIdentity = db_1.Column.isIdentity(srcIndex);
         var srcIndexArray = isIdentity ? void 0 : srcIndex.toArray({ array: Int32Array });
+        var coarseGrained = isCoarseGrained(model);
         for (var i = 0, il = frames.length; i < il; ++i) {
             var f = frames[i];
-            var m = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, model), { id: uuid_1.UUID.create22(), modelNum: i, atomicConformation: coordinates_1.Coordinates.getAtomicConformation(f, model.atomicConformation.atomId, srcIndexArray), 
+            var m = tslib_1.__assign(tslib_1.__assign({}, model), { id: uuid_1.UUID.create22(), modelNum: i, atomicConformation: coordinates_1.Coordinates.getAtomicConformation(f, model.atomicConformation.atomId, srcIndexArray), 
                 // TODO: add support for supplying sphere and gaussian coordinates in addition to atomic coordinates?
                 // coarseConformation: coarse.conformation,
                 customProperties: new custom_property_1.CustomProperties(), _staticPropertyData: Object.create(null), _dynamicPropertyData: Object.create(null) });
@@ -41,6 +42,7 @@ var Model;
                 symmetry_1.ModelSymmetry.Provider.set(m, symmetry);
             }
             Model.TrajectoryInfo.set(m, { index: i, size: frames.length });
+            Model.CoarseGrained.set(m, coarseGrained);
             trajectory.push(m);
         }
         return { trajectory: trajectory, srcIndexArray: srcIndexArray };
@@ -51,9 +53,9 @@ var Model;
     Model.trajectoryFromModelAndCoordinates = trajectoryFromModelAndCoordinates;
     function trajectoryFromTopologyAndCoordinates(topology, coordinates) {
         var _this = this;
-        return mol_task_1.Task.create('Create Trajectory', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
-            var models, model, trajectory, bondData, indexPairBonds, index, _a, trajectory_2, m;
-            return (0, tslib_1.__generator)(this, function (_b) {
+        return mol_task_1.Task.create('Create Trajectory', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
+            var models, model, trajectory, bondData, indexPairBonds, coarseGrained, index, _a, trajectory_2, m;
+            return tslib_1.__generator(this, function (_b) {
                 switch (_b.label) {
                     case 0: return [4 /*yield*/, (0, parser_1.createModels)(topology.basic, topology.sourceData, ctx)];
                     case 1:
@@ -64,11 +66,13 @@ var Model;
                         trajectory = _trajectoryFromModelAndCoordinates(model, coordinates).trajectory;
                         bondData = { pairs: topology.bonds, count: model.atomicHierarchy.atoms._rowCount };
                         indexPairBonds = index_pair_1.IndexPairBonds.fromData(bondData);
+                        coarseGrained = isCoarseGrained(model);
                         index = 0;
                         for (_a = 0, trajectory_2 = trajectory; _a < trajectory_2.length; _a++) {
                             m = trajectory_2[_a];
                             index_pair_1.IndexPairBonds.Provider.set(m, indexPairBonds);
                             Model.TrajectoryInfo.set(m, { index: index++, size: trajectory.length });
+                            Model.CoarseGrained.set(m, coarseGrained);
                         }
                         return [2 /*return*/, new trajectory_1.ArrayTrajectory(trajectory)];
                 }
@@ -144,35 +148,44 @@ var Model;
         }
     };
     var CoarseGrainedProp = '__CoarseGrained__';
+    Model.CoarseGrained = {
+        get: function (model) {
+            return model._staticPropertyData[CoarseGrainedProp];
+        },
+        set: function (model, coarseGrained) {
+            return model._staticPropertyData[CoarseGrainedProp] = coarseGrained;
+        }
+    };
     /**
      * Has typical coarse grained atom names (BB, SC1) or less than three times as many
      * atoms as polymer residues (C-alpha only models).
      */
     function isCoarseGrained(model) {
-        if (model._staticPropertyData[CoarseGrainedProp] !== undefined)
-            return model._staticPropertyData[CoarseGrainedProp];
-        var polymerResidueCount = 0;
-        var polymerType = model.atomicHierarchy.derived.residue.polymerType;
-        for (var i = 0; i < polymerType.length; ++i) {
-            if (polymerType[i] !== 0 /* NA */)
-                polymerResidueCount += 1;
-        }
-        // check for coarse grained atom names
-        var hasBB = false, hasSC1 = false;
-        var _a = model.atomicHierarchy.atoms, label_atom_id = _a.label_atom_id, atomCount = _a._rowCount;
-        for (var i = 0; i < atomCount; ++i) {
-            var atomName = label_atom_id.value(i);
-            if (!hasBB && atomName === 'BB')
-                hasBB = true;
-            if (!hasSC1 && atomName === 'SC1')
-                hasSC1 = true;
-            if (hasBB && hasSC1)
-                break;
+        var coarseGrained = Model.CoarseGrained.get(model);
+        if (coarseGrained === undefined) {
+            var polymerResidueCount = 0;
+            var polymerType = model.atomicHierarchy.derived.residue.polymerType;
+            for (var i = 0; i < polymerType.length; ++i) {
+                if (polymerType[i] !== 0 /* NA */)
+                    polymerResidueCount += 1;
+            }
+            // check for coarse grained atom names
+            var hasBB = false, hasSC1 = false;
+            var _a = model.atomicHierarchy.atoms, label_atom_id = _a.label_atom_id, atomCount = _a._rowCount;
+            for (var i = 0; i < atomCount; ++i) {
+                var atomName = label_atom_id.value(i);
+                if (!hasBB && atomName === 'BB')
+                    hasBB = true;
+                if (!hasSC1 && atomName === 'SC1')
+                    hasSC1 = true;
+                if (hasBB && hasSC1)
+                    break;
+            }
+            coarseGrained = (hasBB && hasSC1) || (polymerResidueCount && atomCount
+                ? atomCount / polymerResidueCount < 3
+                : false);
+            Model.CoarseGrained.set(model, coarseGrained);
         }
-        var coarseGrained = (hasBB && hasSC1) || (polymerResidueCount && atomCount
-            ? atomCount / polymerResidueCount < 3
-            : false);
-        model._staticPropertyData[CoarseGrainedProp] = coarseGrained;
         return coarseGrained;
     }
     Model.isCoarseGrained = isCoarseGrained;
@@ -324,4 +337,3 @@ var Model;
     }
     Model.probablyHasDensityMap = probablyHasDensityMap;
 })(Model = exports.Model || (exports.Model = {}));
-//# sourceMappingURL=model.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js

@@ -90,4 +90,3 @@ function getInterBondOrderFromTable(compId1, atomId1, compId2, atomId2) {
     return InterBondOrderTable.get("".concat(compId1, "|").concat(atomId1, "|").concat(compId2, "|").concat(atomId2)) || 1;
 }
 exports.getInterBondOrderFromTable = getInterBondOrderFromTable;
-//# sourceMappingURL=bonds.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic/conformation.js

@@ -6,4 +6,3 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=conformation.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js

@@ -107,4 +107,3 @@ var AtomicHierarchy;
     }
     AtomicHierarchy.chainResidueCount = chainResidueCount;
 })(AtomicHierarchy = exports.AtomicHierarchy || (exports.AtomicHierarchy = {}));
-//# sourceMappingURL=hierarchy.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic/measures.js

@@ -35,4 +35,3 @@ function AtomNumber(element) {
     return i === void 0 ? exports.DefaultAtomNumber : i;
 }
 exports.AtomNumber = AtomNumber;
-//# sourceMappingURL=measures.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic/types.js

@@ -67,4 +67,3 @@ function isNonmetal(element) {
         isNobleGas(element));
 }
 exports.isNonmetal = isNonmetal;
-//# sourceMappingURL=types.js.map

package/lib/commonjs/mol-model/structure/model/properties/atomic.js

@@ -6,7 +6,6 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-(0, tslib_1.__exportStar)(require("./atomic/conformation"), exports);
-(0, tslib_1.__exportStar)(require("./atomic/hierarchy"), exports);
-(0, tslib_1.__exportStar)(require("./atomic/measures"), exports);
-//# sourceMappingURL=atomic.js.map
+tslib_1.__exportStar(require("./atomic/conformation"), exports);
+tslib_1.__exportStar(require("./atomic/hierarchy"), exports);
+tslib_1.__exportStar(require("./atomic/measures"), exports);

package/lib/commonjs/mol-model/structure/model/properties/coarse/conformation.js

@@ -6,4 +6,3 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=conformation.js.map

package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js

@@ -33,4 +33,3 @@ var CoarseHierarchy;
         gaussians: EmptyCoarseElements
     };
 })(CoarseHierarchy = exports.CoarseHierarchy || (exports.CoarseHierarchy = {}));
-//# sourceMappingURL=hierarchy.js.map

package/lib/commonjs/mol-model/structure/model/properties/coarse.js

@@ -6,6 +6,5 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-(0, tslib_1.__exportStar)(require("./coarse/conformation"), exports);
-(0, tslib_1.__exportStar)(require("./coarse/hierarchy"), exports);
-//# sourceMappingURL=coarse.js.map
+tslib_1.__exportStar(require("./coarse/conformation"), exports);
+tslib_1.__exportStar(require("./coarse/hierarchy"), exports);

package/lib/commonjs/mol-model/structure/model/properties/common.js

@@ -9,4 +9,3 @@ Object.defineProperty(exports, "__esModule", { value: true });
 exports.EntitySubtype = void 0;
 var db_1 = require("../../../../mol-data/db");
 exports.EntitySubtype = db_1.Column.Schema.Aliased(db_1.Column.Schema.Str(''));
-//# sourceMappingURL=common.js.map

package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js

@@ -194,4 +194,3 @@ var EntityMappedCustomProperty = /** @class */ (function () {
     };
     return EntityMappedCustomProperty;
 }());
-//# sourceMappingURL=indexed.js.map

package/lib/commonjs/mol-model/structure/model/properties/global-transform.js

@@ -79,4 +79,3 @@ var GlobalModelTransformInfo;
     }
     GlobalModelTransformInfo.writeMmCif = writeMmCif;
 })(GlobalModelTransformInfo = exports.GlobalModelTransformInfo || (exports.GlobalModelTransformInfo = {}));
-//# sourceMappingURL=global-transform.js.map

package/lib/commonjs/mol-model/structure/model/properties/seconday-structure.js

@@ -10,4 +10,3 @@ function SecondaryStructure(type, key, elements, getIndex) {
     return { type: type, key: key, elements: elements, getIndex: getIndex };
 }
 exports.SecondaryStructure = SecondaryStructure;
-//# sourceMappingURL=seconday-structure.js.map

package/lib/commonjs/mol-model/structure/model/properties/sequence.js

@@ -110,4 +110,3 @@ var StructureSequence;
     StructureSequence.fromCoarseElements = fromCoarseElements;
 })(StructureSequence || (StructureSequence = {}));
 exports.StructureSequence = StructureSequence;
-//# sourceMappingURL=sequence.js.map

package/lib/commonjs/mol-model/structure/model/properties/symmetry.js

@@ -66,4 +66,3 @@ var Symmetry;
     Symmetry.getUnitcellLabel = getUnitcellLabel;
 })(Symmetry || (Symmetry = {}));
 exports.Symmetry = Symmetry;
-//# sourceMappingURL=symmetry.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js

@@ -81,4 +81,3 @@ function getAtomicDerivedData(data, segments, index, chemicalComponentMap) {
     };
 }
 exports.getAtomicDerivedData = getAtomicDerivedData;
-//# sourceMappingURL=atomic-derived.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js

@@ -226,4 +226,3 @@ function getAtomicIndex(data, entities, segments) {
     return new Index(map);
 }
 exports.getAtomicIndex = getAtomicIndex;
-//# sourceMappingURL=atomic-index.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js

@@ -114,4 +114,3 @@ function getAtomicRanges(hierarchy, entities, conformation, sequence) {
     };
 }
 exports.getAtomicRanges = getAtomicRanges;
-//# sourceMappingURL=atomic-ranges.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js

@@ -94,4 +94,3 @@ function getCoarseKeys(data, entities) {
     return { chainKey: chainKey, entityKey: entityKey, findSequenceKey: findSequenceKey, findChainKey: findChainKey, getEntityFromChain: getEntityFromChain };
 }
 exports.getCoarseKeys = getCoarseKeys;
-//# sourceMappingURL=coarse-keys.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-ranges.js

@@ -44,4 +44,3 @@ function getCoarseRanges(data, chemicalComponentMap) {
     };
 }
 exports.getCoarseRanges = getCoarseRanges;
-//# sourceMappingURL=coarse-ranges.js.map

package/lib/commonjs/mol-model/structure/model/properties/utils/residue-set.js

@@ -95,4 +95,3 @@ var _comp_id = properties_1.StructureProperties.atom.label_comp_id;
 var _alt_id = properties_1.StructureProperties.atom.label_alt_id;
 var _ins_code = properties_1.StructureProperties.residue.pdbx_PDB_ins_code;
 var _op_name = properties_1.StructureProperties.unit.operator_name;
-//# sourceMappingURL=residue-set.js.map

package/lib/commonjs/mol-model/structure/model/types/ions.js

@@ -9,4 +9,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.IonNames = void 0;
 exports.IonNames = new Set(['118', '119', '543', '1AL', '1CU', '2FK', '2HP', '2OF', '3CO', '3MT', '3NI', '3OF', '3P8', '4MO', '4PU', '4TI', '6MO', 'ACT', 'AG', 'AL', 'ALF', 'AM', 'ATH', 'AU', 'AU3', 'AUC', 'AZI', 'BA', 'BCT', 'BEF', 'BF4', 'BO4', 'BR', 'BS3', 'BSY', 'CA', 'CAC', 'CD', 'CD1', 'CD3', 'CD5', 'CE', 'CF', 'CHT', 'CL', 'CO', 'CO3', 'CO5', 'CON', 'CR', 'CS', 'CSB', 'CU', 'CU1', 'CU3', 'CUA', 'CUZ', 'CYN', 'DME', 'DMI', 'DSC', 'DTI', 'DY', 'E4N', 'EDR', 'EMC', 'ER3', 'EU', 'EU3', 'F', 'FE', 'FE2', 'FPO', 'GA', 'GD3', 'GEP', 'HAI', 'HG', 'HGC', 'IN', 'IOD', 'IR', 'IR3', 'IRI', 'IUM', 'K', 'KO4', 'LA', 'LCO', 'LCP', 'LI', 'LU', 'MAC', 'MG', 'MH2', 'MH3', 'MLI', 'MMC', 'MN', 'MN3', 'MN5', 'MN6', 'MO1', 'MO2', 'MO3', 'MO4', 'MO5', 'MO6', 'MOO', 'MOS', 'MOW', 'MW1', 'MW2', 'MW3', 'NA', 'NA2', 'NA5', 'NA6', 'NAO', 'NAW', 'ND', 'NET', 'NH4', 'NI', 'NI1', 'NI2', 'NI3', 'NO2', 'NO3', 'NRU', 'O4M', 'OAA', 'OC1', 'OC2', 'OC3', 'OC4', 'OC5', 'OC6', 'OC7', 'OC8', 'OCL', 'OCM', 'OCN', 'OCO', 'OF1', 'OF2', 'OF3', 'OH', 'OS', 'OS4', 'OXL', 'PB', 'PBM', 'PD', 'PDV', 'PER', 'PI', 'PO3', 'PO4', 'PR', 'PT', 'PT4', 'PTN', 'RB', 'RH3', 'RHD', 'RU', 'SB', 'SCN', 'SE4', 'SEK', 'SM', 'SMO', 'SO3', 'SO4', 'SR', 'T1A', 'TB', 'TBA', 'TCN', 'TEA', 'TH', 'THE', 'TL', 'TMA', 'TRA', 'UNX', 'V', 'VN3', 'VO4', 'W', 'WO5', 'Y1', 'YB', 'YB2', 'YH', 'YT3', 'ZCM', 'ZN', 'ZN2', 'ZN3', 'ZNO', 'ZO3', 'ZR', 'NCO', 'OHX']);
-//# sourceMappingURL=ions.js.map

package/lib/commonjs/mol-model/structure/model/types/lipids.js

@@ -9,4 +9,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.LipidNames = void 0;
 exports.LipidNames = new Set(['DAPC', 'DBPC', 'DFPC', 'DGPC', 'DIPC', 'DLPC', 'DNPC', 'DOPC', 'DPPC', 'DRPC', 'DTPC', 'DVPC', 'DXPC', 'DYPC', 'LPPC', 'PAPC', 'PEPC', 'PGPC', 'PIPC', 'POPC', 'PRPC', 'PUPC', 'DAPE', 'DBPE', 'DFPE', 'DGPE', 'DIPE', 'DLPE', 'DNPE', 'DOPE', 'DPPE', 'DRPE', 'DTPE', 'DUPE', 'DVPE', 'DXPE', 'DYPE', 'LPPE', 'PAPE', 'PGPE', 'PIPE', 'POPE', 'PQPE', 'PRPE', 'PUPE', 'DAPS', 'DBPS', 'DFPS', 'DGPS', 'DIPS', 'DLPS', 'DNPS', 'DOPS', 'DPPS', 'DRPS', 'DTPS', 'DUPS', 'DVPS', 'DXPS', 'DYPS', 'LPPS', 'PAPS', 'PGPS', 'PIPS', 'POPS', 'PQPS', 'PRPS', 'PUPS', 'DAPG', 'DBPG', 'DFPG', 'DGPG', 'DIPG', 'DLPG', 'DNPG', 'DOPG', 'DPPG', 'DRPG', 'DTPG', 'DVPG', 'DXPG', 'DYPG', 'LPPG', 'PAPG', 'PGPG', 'PIPG', 'POPG', 'PRPG', 'DAPA', 'DBPA', 'DFPA', 'DGPA', 'DIPA', 'DLPA', 'DNPA', 'DOPA', 'DPPA', 'DRPA', 'DTPA', 'DVPA', 'DXPA', 'DYPA', 'LPPA', 'PAPA', 'PGPA', 'PIPA', 'POPA', 'PRPA', 'PUPA', 'DPP', 'DPPI', 'PAPI', 'PIPI', 'POP', 'POPI', 'PUPI', 'PVP', 'PVPI', 'PADG', 'PIDG', 'PODG', 'PUDG', 'PVDG', 'APC', 'CPC', 'IPC', 'LPC', 'OPC', 'PPC', 'TPC', 'UPC', 'VPC', 'BNSM', 'DBSM', 'DPSM', 'DXSM', 'PGSM', 'PNSM', 'POSM', 'PVSM', 'XNSM', 'DPCE', 'DXCE', 'PNCE', 'XNCE', 'DMPC']);
-//# sourceMappingURL=lipids.js.map

package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts

@@ -0,0 +1,8 @@
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * Code-generated ion names params file. Names extracted from CCD components.
+ *
+ * @author molstar/cli/chem-comp-dict/create-saccharides
+ */
+export declare const SaccharideNames: Set<string>;

package/lib/commonjs/mol-model/structure/model/types/saccharides.js

@@ -0,0 +1,11 @@
+"use strict";
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * Code-generated ion names params file. Names extracted from CCD components.
+ *
+ * @author molstar/cli/chem-comp-dict/create-saccharides
+ */
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.SaccharideNames = void 0;
+exports.SaccharideNames = new Set(['145', '147', '149', '289', '291', '293', '445', '475', '491', '510', '604', '045', '05L', '07E', '07Y', '08U', '09X', '0AT', '0BD', '0H0', '0HX', '0LP', '0MK', '0NZ', '0TS', '0UB', '0V4', '0WK', '0XY', '0YT', '10M', '12E', '14T', '15L', '16F', '16G', '16O', '17T', '18D', '18O', '18T', '1AR', '1BW', '1CF', '1FT', '1GL', '1GN', '1JB', '1LL', '1NA', '1S3', '1S4', '1SD', '1X4', '20S', '20X', '22O', '22S', '23V', '24S', '25E', '26M', '26O', '26Q', '26R', '26V', '26W', '26Y', '27C', '2DG', '2DR', '2F8', '2FG', '2FL', '2FP', '2GL', '2GS', '2H5', '2HA', '2M4', '2M5', '2M8', '2OS', '2WP', '2WS', '32O', '34V', '38J', '3BU', '3CM', '3DO', '3DY', '3FM', '3GR', '3HD', '3J3', '3J4', '3LJ', '3LR', '3MF', '3MG', '3MK', '3R3', '3S6', '3SA', '3YW', '40J', '42D', '44S', '46D', '46M', '46Z', '48Z', '49A', '49S', '49T', '49V', '4AM', '4CQ', '4GC', '4GL', '4GP', '4JA', '4N2', '4NN', '4QY', '4R1', '4RS', '4SG', '4U0', '4U1', '4U2', '4UZ', '4V5', '50A', '51N', '56N', '57S', '5DI', '5GF', '5GO', '5II', '5KQ', '5KS', '5KT', '5KV', '5L2', '5L3', '5LS', '5LT', '5MM', '5N6', '5QP', '5RP', '5SA', '5SP', '5TH', '5TJ', '5TK', '5TM', '61J', '62I', '64K', '66O', '6BG', '6C2', '6DM', '6GB', '6GP', '6GR', '6K3', '6KH', '6KL', '6KS', '6KU', '6KW', '6LA', '6LS', '6LW', '6MJ', '6MN', '6PG', '6PY', '6PZ', '6S2', '6SA', '6UD', '6Y6', '6YR', '6ZC', '73E', '79J', '7CV', '7D1', '7GP', '7JZ', '7K2', '7K3', '7NU', '7SA', '83Y', '89Y', '8B7', '8B9', '8EX', '8GA', '8GG', '8GP', '8LM', '8LR', '8OQ', '8PK', '8S0', '8YV', '95Z', '96O', '9AM', '9C1', '9CD', '9GP', '9KJ', '9MR', '9OK', '9PG', '9QG', '9QZ', '9S7', '9SG', '9SJ', '9SM', '9SP', '9T1', '9T7', '9VP', '9WJ', '9WN', '9WZ', '9YW', 'A0K', 'A1Q', 'A2G', 'A5C', 'A6P', 'AAL', 'AAO', 'ABC', 'ABD', 'ABE', 'ABF', 'ABL', 'AC1', 'ACG', 'ACR', 'ACX', 'ADA', 'ADG', 'ADR', 'AF1', 'AFD', 'AFL', 'AFO', 'AFP', 'AFR', 'AGC', 'AGH', 'AGL', 'AGR', 'AH2', 'AH8', 'AHG', 'AHM', 'AHR', 'AIG', 'ALL', 'ALX', 'AMG', 'AMN', 'AMU', 'AMV', 'ANA', 'AOG', 'AOS', 'AQA', 'ARA', 'ARB', 'ARE', 'ARI', 'ARW', 'ASC', 'ASG', 'ASO', 'AXP', 'AXR', 'AY9', 'AZC', 'B0D', 'B16', 'B1H', 'B1N', 'B2G', 'B4G', 'B6D', 'B7G', 'B8D', 'B9D', 'BBK', 'BBV', 'BCD', 'BCW', 'BDF', 'BDG', 'BDP', 'BDR', 'BDZ', 'BEM', 'BFN', 'BFP', 'BG6', 'BG8', 'BGC', 'BGL', 'BGN', 'BGP', 'BGS', 'BHG', 'BM3', 'BM7', 'BMA', 'BMX', 'BND', 'BNG', 'BNX', 'BO1', 'BOG', 'BQY', 'BRI', 'BS7', 'BTG', 'BTU', 'BWG', 'BXF', 'BXP', 'BXX', 'BXY', 'BZD', 'C3B', 'C3G', 'C3X', 'C4B', 'C4W', 'C4X', 'C5X', 'CAP', 'CBF', 'CBI', 'CBK', 'CDR', 'CE5', 'CE6', 'CE8', 'CEG', 'CEX', 'CEY', 'CEZ', 'CGF', 'CJB', 'CKB', 'CKP', 'CNP', 'CR1', 'CR6', 'CRA', 'CT3', 'CTO', 'CTR', 'CTT', 'D0N', 'D1M', 'D5E', 'D6G', 'DAF', 'DAG', 'DAN', 'DDA', 'DDB', 'DDL', 'DEG', 'DEL', 'DFR', 'DFX', 'DG0', 'DGC', 'DGD', 'DGM', 'DGO', 'DGS', 'DGU', 'DIG', 'DJB', 'DJE', 'DK4', 'DKX', 'DKZ', 'DL6', 'DLD', 'DLF', 'DLG', 'DMU', 'DNO', 'DO8', 'DOM', 'DP5', 'DPC', 'DQQ', 'DQR', 'DR2', 'DR3', 'DR4', 'DR5', 'DRI', 'DSR', 'DT6', 'DVC', 'DYM', 'E3M', 'E4P', 'E5G', 'EAG', 'EBG', 'EBQ', 'EEN', 'EEQ', 'EGA', 'EJT', 'EMP', 'EMZ', 'EPG', 'EQP', 'EQV', 'ERE', 'ERI', 'ETT', 'EUS', 'F1P', 'F1X', 'F55', 'F58', 'F6P', 'F8X', 'FBP', 'FCA', 'FCB', 'FCT', 'FDP', 'FDQ', 'FFC', 'FFX', 'FIF', 'FIX', 'FK9', 'FKD', 'FMF', 'FMO', 'FNG', 'FNY', 'FRU', 'FSA', 'FSI', 'FSM', 'FSR', 'FSW', 'FU4', 'FUB', 'FUC', 'FUD', 'FUF', 'FUL', 'FUY', 'FVQ', 'FX1', 'FYJ', 'G0S', 'G16', 'G1P', 'G20', 'G28', 'G2F', 'G3F', 'G3I', 'G4D', 'G4S', 'G6D', 'G6P', 'G6S', 'G7P', 'G8Z', 'GAA', 'GAC', 'GAD', 'GAF', 'GAL', 'GAT', 'GBH', 'GC1', 'GC4', 'GC9', 'GCB', 'GCD', 'GCN', 'GCO', 'GCS', 'GCT', 'GCU', 'GCV', 'GCW', 'GDA', 'GDL', 'GE1', 'GE3', 'GFP', 'GIV', 'GL0', 'GL1', 'GL2', 'GL4', 'GL5', 'GL6', 'GL7', 'GL9', 'GLA', 'GLB', 'GLC', 'GLD', 'GLF', 'GLG', 'GLO', 'GLP', 'GLS', 'GLT', 'GLW', 'GM0', 'GMB', 'GMH', 'GMT', 'GMZ', 'GN1', 'GN4', 'GNS', 'GNX', 'GP0', 'GP1', 'GP4', 'GPH', 'GPK', 'GPM', 'GPO', 'GPQ', 'GPU', 'GPV', 'GPW', 'GQ1', 'GRF', 'GRX', 'GS1', 'GS4', 'GS9', 'GSA', 'GSD', 'GTE', 'GTH', 'GTK', 'GTM', 'GTR', 'GU0', 'GU1', 'GU2', 'GU3', 'GU4', 'GU5', 'GU6', 'GU8', 'GU9', 'GUF', 'GUL', 'GUP', 'GUZ', 'GXL', 'GXV', 'GYE', 'GYG', 'GYP', 'GYU', 'GYV', 'GZL', 'H1M', 'H1S', 'H2P', 'H3S', 'H53', 'H6Q', 'H6Z', 'HBZ', 'HD4', 'HDL', 'HMS', 'HNV', 'HNW', 'HSG', 'HSH', 'HSJ', 'HSQ', 'HSR', 'HSU', 'HSX', 'HSY', 'HSZ', 'HTG', 'HTM', 'I57', 'IAB', 'IDC', 'IDF', 'IDG', 'IDR', 'IDS', 'IDT', 'IDU', 'IDX', 'IDY', 'IEM', 'IN1', 'IPT', 'ISD', 'ISL', 'ISX', 'IXD', 'J5B', 'JFZ', 'JHM', 'JLT', 'JRV', 'JS2', 'JSV', 'JV4', 'JVA', 'JVS', 'JZR', 'K5B', 'K99', 'KBA', 'KBG', 'KD5', 'KDA', 'KDB', 'KDD', 'KDE', 'KDF', 'KDM', 'KDN', 'KDO', 'KDR', 'KFN', 'KG1', 'KGM', 'KHP', 'KME', 'KO1', 'KO2', 'KOT', 'KTU', 'L1L', 'L6S', 'L6T', 'LAG', 'LAH', 'LAI', 'LAK', 'LAO', 'LAT', 'LB2', 'LBS', 'LBT', 'LCN', 'LDY', 'LEC', 'LER', 'LFC', 'LFR', 'LGC', 'LGU', 'LKA', 'LKS', 'LM2', 'LMO', 'LMT', 'LMU', 'LNV', 'LOG', 'LOX', 'LPK', 'LRH', 'LSM', 'LTG', 'LTM', 'LVO', 'LVZ', 'LXB', 'LXC', 'LXZ', 'LZ0', 'M1F', 'M1P', 'M2F', 'M3M', 'M3N', 'M55', 'M6D', 'M6P', 'M7B', 'M7P', 'M8C', 'MA1', 'MA2', 'MA3', 'MA8', 'MAB', 'MAF', 'MAG', 'MAL', 'MAN', 'MAT', 'MAV', 'MAW', 'MBE', 'MBF', 'MBG', 'MCU', 'MDA', 'MDP', 'MFA', 'MFB', 'MFU', 'MG5', 'MGA', 'MGC', 'MGL', 'MGS', 'MJJ', 'MLB', 'MLR', 'MMA', 'MMN', 'MN0', 'MNA', 'MQG', 'MQT', 'MRH', 'MRP', 'MSX', 'MTT', 'MUB', 'MUG', 'MUR', 'MVP', 'MXY', 'MXZ', 'MYG', 'N1L', 'N9S', 'NA1', 'NAA', 'NAG', 'NBG', 'NBX', 'NBY', 'NDG', 'NED', 'NFG', 'NG1', 'NG6', 'NGA', 'NGB', 'NGC', 'NGE', 'NGF', 'NGK', 'NGL', 'NGR', 'NGS', 'NGY', 'NGZ', 'NHF', 'NLC', 'NM6', 'NM9', 'NNG', 'NPF', 'NSQ', 'NT1', 'NTF', 'NTO', 'NTP', 'NXD', 'NYT', 'O1G', 'OAK', 'OEL', 'OI7', 'OPM', 'ORP', 'OSU', 'OTG', 'OTN', 'OTU', 'OX2', 'P53', 'P6P', 'P8E', 'PA1', 'PA5', 'PAV', 'PDX', 'PH5', 'PKM', 'PNA', 'PNG', 'PNJ', 'PNW', 'PPC', 'PRP', 'PSG', 'PSJ', 'PSV', 'PTQ', 'PUF', 'PZU', 'QDK', 'QIF', 'QKH', 'QPS', 'QV4', 'R1P', 'R1X', 'R2B', 'R2G', 'R5P', 'RAA', 'RAE', 'RAF', 'RAM', 'RAO', 'RAT', 'RB5', 'RBL', 'RCD', 'RDP', 'REL', 'RER', 'RF5', 'RG1', 'RGG', 'RHA', 'RHC', 'RI2', 'RIB', 'RIP', 'RM4', 'RNS', 'RNT', 'ROB', 'ROR', 'RP3', 'RP5', 'RP6', 'RPA', 'RR7', 'RRJ', 'RRY', 'RST', 'RTG', 'RTV', 'RUB', 'RUG', 'RUU', 'RV7', 'RVG', 'RVM', 'RWI', 'RY7', 'RZM', 'S6P', 'S7P', 'S81', 'SA0', 'SCG', 'SCR', 'SDD', 'SDY', 'SEJ', 'SF6', 'SF9', 'SFJ', 'SFU', 'SG4', 'SG5', 'SG6', 'SG7', 'SGA', 'SGC', 'SGD', 'SGN', 'SGS', 'SHB', 'SHD', 'SHG', 'SI3', 'SIA', 'SID', 'SIO', 'SIZ', 'SLB', 'SLM', 'SLT', 'SMD', 'SN5', 'SNG', 'SOE', 'SOG', 'SOL', 'SOR', 'SR1', 'SSG', 'SSH', 'STW', 'STZ', 'SUC', 'SUP', 'SUS', 'SWE', 'SZZ', 'T68', 'T6D', 'T6P', 'T6T', 'TA6', 'TAG', 'TCB', 'TCG', 'TDG', 'TEU', 'TF0', 'TFU', 'TGA', 'TGK', 'TGR', 'TGY', 'TH1', 'TM5', 'TM6', 'TM9', 'TMR', 'TMX', 'TNX', 'TOA', 'TOC', 'TQY', 'TRE', 'TRV', 'TS8', 'TT7', 'TTV', 'TTZ', 'TU4', 'TUG', 'TUJ', 'TUP', 'TUR', 'TVD', 'TVG', 'TVM', 'TVS', 'TVV', 'TVY', 'TW7', 'TWA', 'TWD', 'TWG', 'TWJ', 'TWY', 'TXB', 'TYV', 'U1Y', 'U2A', 'U2D', 'U63', 'U8V', 'U97', 'U9A', 'U9D', 'U9G', 'U9J', 'U9M', 'UAP', 'UCD', 'UDC', 'UEA', 'V3M', 'V3P', 'V71', 'VG1', 'VJ1', 'VJ4', 'VKN', 'VTB', 'W9T', 'WIA', 'WOO', 'WUN', 'WZ1', 'WZ2', 'WZ4', 'X0X', 'X1P', 'X1X', 'X2F', 'X2Y', 'X34', 'X4S', 'X5S', 'X6X', 'X6Y', 'XBP', 'XDP', 'XDX', 'XGP', 'XIL', 'XKJ', 'XLF', 'XLS', 'XMM', 'XS2', 'XUL', 'XXM', 'XXR', 'XXX', 'XYB', 'XYF', 'XYL', 'XYP', 'XYS', 'XYT', 'XYZ', 'YDR', 'YIO', 'YJM', 'YKR', 'YO5', 'YX0', 'YX1', 'YYB', 'YYH', 'YYJ', 'YYK', 'YYM', 'YYQ', 'YYR', 'YZ0', 'Z0F', 'Z15', 'Z16', 'Z2D', 'Z2T', 'Z3K', 'Z3L', 'Z3Q', 'Z3U', 'Z4K', 'Z4R', 'Z4S', 'Z4U', 'Z4V', 'Z4W', 'Z4Y', 'Z57', 'Z5J', 'Z5L', 'Z61', 'Z6H', 'Z6J', 'Z6W', 'Z8H', 'Z8T', 'Z9D', 'Z9E', 'Z9H', 'Z9K', 'Z9L', 'Z9M', 'Z9N', 'Z9W', 'ZB0', 'ZB1', 'ZB2', 'ZB3', 'ZCD', 'ZCZ', 'ZD0', 'ZDC', 'ZDM', 'ZDO', 'ZEE', 'ZEL', 'ZGE', 'ZMR', 'UMQ', 'SQD']);

package/lib/commonjs/mol-model/structure/model/types.js

@@ -617,4 +617,3 @@ exports.ResidueHydrophobicity = {
     'HID': [0.17, 0.11, -0.06], 'HIE': [0.17, 0.11, -0.06], 'HIP': [0.96, 2.33, 1.37],
 };
 exports.DefaultResidueHydrophobicity = [0.00, 0.00, 0.00];
-//# sourceMappingURL=types.js.map

package/lib/commonjs/mol-model/structure/model/util.js

@@ -49,4 +49,3 @@ function getAsymIdCount(model) {
     return { auth: auth.size, label: label.size };
 }
 exports.getAsymIdCount = getAsymIdCount;
-//# sourceMappingURL=util.js.map

package/lib/commonjs/mol-model/structure/model.js

@@ -9,12 +9,11 @@ exports.StructureSequence = exports.Symmetry = exports.Types = exports.Model = v
 var tslib_1 = require("tslib");
 var model_1 = require("./model/model");
 Object.defineProperty(exports, "Model", { enumerable: true, get: function () { return model_1.Model; } });
-var Types = (0, tslib_1.__importStar)(require("./model/types"));
+var Types = tslib_1.__importStar(require("./model/types"));
 exports.Types = Types;
 var symmetry_1 = require("./model/properties/symmetry");
 Object.defineProperty(exports, "Symmetry", { enumerable: true, get: function () { return symmetry_1.Symmetry; } });
 var sequence_1 = require("./model/properties/sequence");
 Object.defineProperty(exports, "StructureSequence", { enumerable: true, get: function () { return sequence_1.StructureSequence; } });
-(0, tslib_1.__exportStar)(require("./model/properties/custom/indexed"), exports);
-(0, tslib_1.__exportStar)(require("./model/indexing"), exports);
-//# sourceMappingURL=model.js.map
+tslib_1.__exportStar(require("./model/properties/custom/indexed"), exports);
+tslib_1.__exportStar(require("./model/indexing"), exports);

package/lib/commonjs/mol-model/structure/query/context.js

@@ -132,4 +132,3 @@ var QueryContextBondInfo = /** @class */ (function () {
     });
     return QueryContextBondInfo;
 }());
-//# sourceMappingURL=context.js.map

package/lib/commonjs/mol-model/structure/query/predicates.js

@@ -117,4 +117,3 @@ var Predicates;
     Predicates.or = or;
 })(Predicates || (Predicates = {}));
 exports.Predicates = Predicates;
-//# sourceMappingURL=predicates.js.map

package/lib/commonjs/mol-model/structure/query/queries/combinators.js

@@ -70,4 +70,3 @@ function intersect(queries) {
 }
 exports.intersect = intersect;
 // TODO: distanceCluster
-//# sourceMappingURL=combinators.js.map

package/lib/commonjs/mol-model/structure/query/queries/filters.js

@@ -306,4 +306,3 @@ function isConnectedTo(_a) {
     };
 }
 exports.isConnectedTo = isConnectedTo;
-//# sourceMappingURL=filters.js.map

package/lib/commonjs/mol-model/structure/query/queries/generators.js

@@ -19,9 +19,9 @@ var none = function (ctx) { return selection_1.StructureSelection.Sequence(ctx.i
 exports.none = none;
 var all = function (ctx) { return selection_1.StructureSelection.Singletons(ctx.inputStructure, ctx.inputStructure); };
 exports.all = all;
-function residues(params) { return atoms((0, tslib_1.__assign)((0, tslib_1.__assign)({}, params), { groupBy: function (ctx) { return structure_1.StructureProperties.residue.key(ctx.element); } })); }
+function residues(params) { return atoms(tslib_1.__assign(tslib_1.__assign({}, params), { groupBy: function (ctx) { return structure_1.StructureProperties.residue.key(ctx.element); } })); }
 exports.residues = residues;
-function chains(params) { return atoms((0, tslib_1.__assign)((0, tslib_1.__assign)({}, params), { groupBy: function (ctx) { return structure_1.StructureProperties.chain.key(ctx.element); } })); }
+function chains(params) { return atoms(tslib_1.__assign(tslib_1.__assign({}, params), { groupBy: function (ctx) { return structure_1.StructureProperties.chain.key(ctx.element); } })); }
 exports.chains = chains;
 function _true(ctx) { return true; }
 function _zero(ctx) { return 0; }
@@ -348,4 +348,3 @@ function bondedAtomicPairs(bondTest) {
     };
 }
 exports.bondedAtomicPairs = bondedAtomicPairs;
-//# sourceMappingURL=generators.js.map

package/lib/commonjs/mol-model/structure/query/queries/internal.js

@@ -127,4 +127,3 @@ function bundleGenerator(elements) {
     };
 }
 exports.bundleGenerator = bundleGenerator;
-//# sourceMappingURL=internal.js.map

package/lib/commonjs/mol-model/structure/query/queries/modifiers.js

@@ -129,7 +129,7 @@ function includeSurroundings(query, params) {
     return function query_includeSurroundings(ctx) {
         var inner = query(ctx);
         if (params.elementRadius) {
-            var prms = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params), { elementRadius: params.elementRadius, elementRadiusClosure: createElementRadiusFn(ctx, params.elementRadius), sourceMaxRadius: findStructureRadius(ctx, params.elementRadius) });
+            var prms = tslib_1.__assign(tslib_1.__assign({}, params), { elementRadius: params.elementRadius, elementRadiusClosure: createElementRadiusFn(ctx, params.elementRadius), sourceMaxRadius: findStructureRadius(ctx, params.elementRadius) });
             if (selection_1.StructureSelection.isSingleton(inner)) {
                 var surr = getIncludeSurroundingsWithRadius(ctx, ctx.inputStructure, inner.structure, prms);
                 var ret = selection_1.StructureSelection.Singletons(ctx.inputStructure, surr);
@@ -600,7 +600,7 @@ var StructConnGraph = /** @class */ (function () {
                 added.add(b);
                 var v = this.vertices.get(b);
                 if (u.operator_name === v.operator_name) {
-                    set.add((0, tslib_1.__assign)((0, tslib_1.__assign)({}, v), { operator_name: start.operator_name }));
+                    set.add(tslib_1.__assign(tslib_1.__assign({}, v), { operator_name: start.operator_name }));
                 }
                 else {
                     set.add(v);
@@ -611,4 +611,3 @@ var StructConnGraph = /** @class */ (function () {
     return StructConnGraph;
 }());
 // TODO: unionBy (skip this one?), cluster
-//# sourceMappingURL=modifiers.js.map

package/lib/commonjs/mol-model/structure/query/query.js

@@ -15,4 +15,3 @@ var StructureQuery;
     StructureQuery.run = run;
 })(StructureQuery || (StructureQuery = {}));
 exports.StructureQuery = StructureQuery;
-//# sourceMappingURL=query.js.map

package/lib/commonjs/mol-model/structure/query/selection.js

@@ -160,4 +160,3 @@ var StructureSelection;
     // TODO: spatial lookup?
 })(StructureSelection || (StructureSelection = {}));
 exports.StructureSelection = StructureSelection;
-//# sourceMappingURL=selection.js.map

package/lib/commonjs/mol-model/structure/query/utils/builders.js

@@ -83,4 +83,3 @@ var LinearGroupingBuilder = /** @class */ (function () {
     return LinearGroupingBuilder;
 }());
 exports.LinearGroupingBuilder = LinearGroupingBuilder;
-//# sourceMappingURL=builders.js.map

package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js

@@ -123,4 +123,3 @@ var MaxRadiusDist;
     }
     MaxRadiusDist.check = check;
 })(MaxRadiusDist || (MaxRadiusDist = {}));
-//# sourceMappingURL=structure-distance.js.map

package/lib/commonjs/mol-model/structure/query/utils/structure-set.js

@@ -135,4 +135,3 @@ function structureSubtract(a, b) {
     return structure_1.Structure.create(units, { parent: a.parent || b.parent });
 }
 exports.structureSubtract = structureSubtract;
-//# sourceMappingURL=structure-set.js.map

package/lib/commonjs/mol-model/structure/query.js

@@ -11,12 +11,12 @@ var selection_1 = require("./query/selection");
 Object.defineProperty(exports, "StructureSelection", { enumerable: true, get: function () { return selection_1.StructureSelection; } });
 var query_1 = require("./query/query");
 Object.defineProperty(exports, "StructureQuery", { enumerable: true, get: function () { return query_1.StructureQuery; } });
-(0, tslib_1.__exportStar)(require("./query/context"), exports);
-var generators = (0, tslib_1.__importStar)(require("./query/queries/generators"));
-var modifiers = (0, tslib_1.__importStar)(require("./query/queries/modifiers"));
-var filters = (0, tslib_1.__importStar)(require("./query/queries/filters"));
-var combinators = (0, tslib_1.__importStar)(require("./query/queries/combinators"));
-var internal = (0, tslib_1.__importStar)(require("./query/queries/internal"));
+tslib_1.__exportStar(require("./query/context"), exports);
+var generators = tslib_1.__importStar(require("./query/queries/generators"));
+var modifiers = tslib_1.__importStar(require("./query/queries/modifiers"));
+var filters = tslib_1.__importStar(require("./query/queries/filters"));
+var combinators = tslib_1.__importStar(require("./query/queries/combinators"));
+var internal = tslib_1.__importStar(require("./query/queries/internal"));
 var predicates_1 = require("./query/predicates");
 exports.Queries = {
     generators: generators,
@@ -26,4 +26,3 @@ exports.Queries = {
     pred: predicates_1.Predicates,
     internal: internal
 };
-//# sourceMappingURL=query.js.map

package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js

@@ -304,7 +304,7 @@ function computeCarbohydrates(structure) {
             });
         });
     }
-    return (0, tslib_1.__assign)({ links: links, terminalLinks: terminalLinks, elements: elements, partialElements: partialElements }, buildLookups(elements, links, terminalLinks));
+    return tslib_1.__assign({ links: links, terminalLinks: terminalLinks, elements: elements, partialElements: partialElements }, buildLookups(elements, links, terminalLinks));
 }
 exports.computeCarbohydrates = computeCarbohydrates;
 function buildLookups(elements, links, terminalLinks) {
@@ -387,4 +387,3 @@ function buildLookups(elements, links, terminalLinks) {
     }
     return { getElementIndices: getElementIndices, getLinkIndices: getLinkIndices, getTerminalLinkIndices: getTerminalLinkIndices };
 }
-//# sourceMappingURL=compute.js.map

package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.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>
  * @author David Sehnal <david.sehnal@gmail.com>

package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * 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>
  * @author David Sehnal <david.sehnal@gmail.com>
@@ -9,6 +9,7 @@ var _a, _b;
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.SaccharideCompIdMap = exports.MonosaccharidesColorTable = exports.SaccharidesSnfgMap = exports.UnknownSaccharideComponent = exports.getSaccharideShape = exports.getSaccharideName = exports.SaccharideColors = void 0;
 var color_1 = require("../../../../mol-util/color");
+var saccharides_1 = require("../../model/types/saccharides");
 exports.SaccharideColors = (0, color_1.ColorMap)({
     Blue: 0x0090bc,
     Green: 0x00a651,
@@ -267,11 +268,6 @@ var CommonSaccharideNames = {
     Sor: ['SOE', 'UEA'],
     Psi: ['PSV', 'SF6', 'SF9', 'TTV'],
 };
-var UnknownSaccharideNames = [
-    'NGZ',
-    'LAT',
-    'PUF', 'GDA', '9WJ', // via updated CCD
-];
 /**
  * From http://glycam.org/docs/othertoolsservice/2016/06/09/3d-snfg-list-of-residue-names/#CHARMM
  */
@@ -314,9 +310,9 @@ exports.SaccharideCompIdMap = (function () {
             }
         }
     }
-    for (var i = 0, il = UnknownSaccharideNames.length; i < il; ++i) {
-        map.set(UnknownSaccharideNames[i], exports.UnknownSaccharideComponent);
-    }
+    saccharides_1.SaccharideNames.forEach(function (name) {
+        if (!map.has(name))
+            map.set(name, exports.UnknownSaccharideComponent);
+    });
     return map;
 })();
-//# sourceMappingURL=constants.js.map

package/lib/commonjs/mol-model/structure/structure/carbohydrates/data.js

@@ -16,4 +16,3 @@ exports.EmptyCarbohydrates = {
     getLinkIndices: function () { return EmptyArray; },
     getTerminalLinkIndices: function () { return EmptyArray; },
 };
-//# sourceMappingURL=data.js.map

package/lib/commonjs/mol-model/structure/structure/element/bundle.js

@@ -244,4 +244,3 @@ var Bundle;
     }
     Bundle.areEqual = areEqual;
 })(Bundle = exports.Bundle || (exports.Bundle = {}));
-//# sourceMappingURL=bundle.js.map