molstar 3.1.0 → 3.3.1

package/lib/commonjs/mol-math/geometry/distance-transform.js

@@ -54,4 +54,3 @@ function edt1d(f, d, v, z, n) {
         d[q] = (q - v[k]) * (q - v[k]) + f[v[k]];
     }
 }
-//# sourceMappingURL=distance-transform.js.map

package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js

@@ -136,4 +136,3 @@ function GaussianDensityCPU(ctx, position, box, radius, props) {
     });
 }
 exports.GaussianDensityCPU = GaussianDensityCPU;
-//# sourceMappingURL=cpu.js.map

package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js

@@ -387,4 +387,3 @@ function fieldFromTexture2d(ctx, texture, dim, texDim) {
     // console.timeEnd('fieldFromTexture2d')
     return { field: field, idField: idField };
 }
-//# sourceMappingURL=gpu.js.map

package/lib/commonjs/mol-math/geometry/gaussian-density.js

@@ -49,4 +49,3 @@ function _computeGaussianDensityTexture(type, position, box, radius, props, webg
         });
     }); });
 }
-//# sourceMappingURL=gaussian-density.js.map

package/lib/commonjs/mol-math/geometry/lookup3d/common.js

@@ -32,4 +32,3 @@ var Result;
     }
     Result.copy = copy;
 })(Result = exports.Result || (exports.Result = {}));
-//# sourceMappingURL=common.js.map

package/lib/commonjs/mol-math/geometry/lookup3d/grid.js

@@ -196,4 +196,3 @@ function query(ctx, result) {
     }
     return result.count > 0;
 }
-//# sourceMappingURL=grid.js.map

package/lib/commonjs/mol-math/geometry/molecular-surface.js

@@ -354,4 +354,3 @@ function calcMolecularSurface(ctx, position, boundary, maxRadius, box, props) {
     });
 }
 exports.calcMolecularSurface = calcMolecularSurface;
-//# sourceMappingURL=molecular-surface.js.map

package/lib/commonjs/mol-math/geometry/primitives/axes3d.js

@@ -68,4 +68,3 @@ exports.Axes3D = Axes3D;
     Axes3D.scale = scale;
 })(Axes3D || (Axes3D = {}));
 exports.Axes3D = Axes3D;
-//# sourceMappingURL=axes3d.js.map

package/lib/commonjs/mol-math/geometry/primitives/box3d.js

@@ -128,4 +128,3 @@ exports.Box3D = Box3D;
     Box3D.containsVec3 = containsVec3;
 })(Box3D || (Box3D = {}));
 exports.Box3D = Box3D;
-//# sourceMappingURL=box3d.js.map

package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js

@@ -266,4 +266,3 @@ exports.Sphere3D = Sphere3D;
     Sphere3D.distance = distance;
 })(Sphere3D || (Sphere3D = {}));
 exports.Sphere3D = Sphere3D;
-//# sourceMappingURL=sphere3d.js.map

package/lib/commonjs/mol-math/geometry/spacegroup/cell.js

@@ -37,4 +37,3 @@ exports.Cell = Cell;
     Cell.fromBasis = fromBasis;
 })(Cell || (Cell = {}));
 exports.Cell = Cell;
-//# sourceMappingURL=cell.js.map

package/lib/commonjs/mol-math/geometry/spacegroup/construction.js

@@ -166,4 +166,3 @@ var Spacegroup;
     }
 })(Spacegroup || (Spacegroup = {}));
 exports.Spacegroup = Spacegroup;
-//# sourceMappingURL=construction.js.map

package/lib/commonjs/mol-math/geometry/spacegroup/tables.js

@@ -1529,4 +1529,3 @@ function getSpacegroupIndex(nameOrNumber) {
     return index;
 }
 exports.getSpacegroupIndex = getSpacegroupIndex;
-//# sourceMappingURL=tables.js.map

package/lib/commonjs/mol-math/geometry/symmetry-operator.js

@@ -223,4 +223,3 @@ function generalPosition(_a, _b) {
         return r;
     };
 }
-//# sourceMappingURL=symmetry-operator.js.map

package/lib/commonjs/mol-math/geometry.js

@@ -15,4 +15,3 @@ var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./geometry/primitives/box3d"), exports);
 (0, tslib_1.__exportStar)(require("./geometry/primitives/sphere3d"), exports);
 (0, tslib_1.__exportStar)(require("./geometry/primitives/axes3d"), exports);
-//# sourceMappingURL=geometry.js.map

package/lib/commonjs/mol-math/graph/int-adjacency-graph.js

@@ -364,4 +364,3 @@ function areVertexSetsConnectedImpl(graph, frontier, target, distance, visited)
     }
     return distance > 1 ? areVertexSetsConnectedImpl(graph, newFrontier, target, distance - 1, visited) : false;
 }
-//# sourceMappingURL=int-adjacency-graph.js.map

package/lib/commonjs/mol-math/graph/inter-unit-graph.js

@@ -145,4 +145,3 @@ exports.InterUnitGraph = InterUnitGraph;
 })(InterUnitGraph || (InterUnitGraph = {}));
 exports.InterUnitGraph = InterUnitGraph;
 var emptyArray = [];
-//# sourceMappingURL=inter-unit-graph.js.map

package/lib/commonjs/mol-math/graph.js

@@ -7,4 +7,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./graph/int-adjacency-graph"), exports);
-//# sourceMappingURL=graph.js.map

package/lib/commonjs/mol-math/histogram.js

@@ -32,4 +32,3 @@ function _calcHistogram(data, binCount, min, max) {
     }
     return { min: min, max: max, binWidth: binWidth, counts: counts };
 }
-//# sourceMappingURL=histogram.js.map

package/lib/commonjs/mol-math/interpolate.js

@@ -69,4 +69,3 @@ function almostIdentity(value, start, stop) {
     return (a * t + b) * t * t + stop;
 }
 exports.almostIdentity = almostIdentity;
-//# sourceMappingURL=interpolate.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/common.js

@@ -23,4 +23,3 @@ function equalEps(a, b, eps) {
     return Math.abs(a - b) <= eps;
 }
 exports.equalEps = equalEps;
-//# sourceMappingURL=common.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/mat3.js

@@ -436,4 +436,3 @@ exports.Mat3 = Mat3;
     Mat3.Identity = identity();
 })(Mat3 || (Mat3 = {}));
 exports.Mat3 = Mat3;
-//# sourceMappingURL=mat3.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/mat4.js

@@ -1029,4 +1029,3 @@ exports.Mat4 = Mat4;
     Mat4.id = identity();
 })(Mat4 || (Mat4 = {}));
 exports.Mat4 = Mat4;
-//# sourceMappingURL=mat4.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/minimize-rmsd.js

@@ -133,4 +133,3 @@ function findMinimalRmsdTransformImpl(state) {
     makeTransformMatrix(state);
     state.result.rmsd = rmsd;
 }
-//# sourceMappingURL=minimize-rmsd.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/quat.js

@@ -432,4 +432,3 @@ exports.Quat = Quat;
     Quat.Identity = identity();
 })(Quat || (Quat = {}));
 exports.Quat = Quat;
-//# sourceMappingURL=quat.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js

@@ -156,4 +156,3 @@ exports.Vec2 = Vec2;
     Vec2.toString = toString;
 })(Vec2 || (Vec2 = {}));
 exports.Vec2 = Vec2;
-//# sourceMappingURL=vec2.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js

@@ -580,4 +580,3 @@ exports.Vec3 = Vec3;
     Vec3.negUnitZ = create(0, 0, -1);
 })(Vec3 || (Vec3 = {}));
 exports.Vec3 = Vec3;
-//# sourceMappingURL=vec3.js.map

package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js

@@ -218,4 +218,3 @@ exports.Vec4 = Vec4;
     Vec4.toString = toString;
 })(Vec4 || (Vec4 = {}));
 exports.Vec4 = Vec4;
-//# sourceMappingURL=vec4.js.map

package/lib/commonjs/mol-math/linear-algebra/3d.js

@@ -32,4 +32,3 @@ var quat_1 = require("./3d/quat");
 Object.defineProperty(exports, "Quat", { enumerable: true, get: function () { return quat_1.Quat; } });
 var common_1 = require("./3d/common");
 Object.defineProperty(exports, "EPSILON", { enumerable: true, get: function () { return common_1.EPSILON; } });
-//# sourceMappingURL=3d.js.map

package/lib/commonjs/mol-math/linear-algebra/matrix/evd.js

@@ -256,4 +256,3 @@ function hypotenuse(a, b) {
     }
     return 0.0;
 }
-//# sourceMappingURL=evd.js.map

package/lib/commonjs/mol-math/linear-algebra/matrix/matrix.js

@@ -108,4 +108,3 @@ var Matrix;
     Matrix.subRows = subRows;
 })(Matrix || (Matrix = {}));
 exports.Matrix = Matrix;
-//# sourceMappingURL=matrix.js.map

package/lib/commonjs/mol-math/linear-algebra/matrix/principal-axes.js

@@ -131,4 +131,3 @@ var PrincipalAxes;
     PrincipalAxes.calculateBoxAxes = calculateBoxAxes;
 })(PrincipalAxes || (PrincipalAxes = {}));
 exports.PrincipalAxes = PrincipalAxes;
-//# sourceMappingURL=principal-axes.js.map

package/lib/commonjs/mol-math/linear-algebra/matrix/svd.js

@@ -278,4 +278,3 @@ function svd(A, W, U, V) {
     }
 }
 exports.svd = svd;
-//# sourceMappingURL=svd.js.map

package/lib/commonjs/mol-math/linear-algebra/tensor.js

@@ -322,4 +322,3 @@ var Tensor;
     }
     Tensor.convertToCanonicalAxisIndicesSlowToFast = convertToCanonicalAxisIndicesSlowToFast;
 })(Tensor = exports.Tensor || (exports.Tensor = {}));
-//# sourceMappingURL=tensor.js.map

package/lib/commonjs/mol-math/linear-algebra.js

@@ -8,4 +8,3 @@ Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./linear-algebra/3d"), exports);
 (0, tslib_1.__exportStar)(require("./linear-algebra/tensor"), exports);
-//# sourceMappingURL=linear-algebra.js.map

package/lib/commonjs/mol-math/misc.js

@@ -66,4 +66,3 @@ function spiral2d(radius) {
     return out;
 }
 exports.spiral2d = spiral2d;
-//# sourceMappingURL=misc.js.map

package/lib/commonjs/mol-model/custom-property.js

@@ -79,4 +79,3 @@ var CustomProperties = /** @class */ (function () {
     return CustomProperties;
 }());
 exports.CustomProperties = CustomProperties;
-//# sourceMappingURL=custom-property.js.map

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

@@ -20,4 +20,3 @@ function isDataLocation(x) {
     return !!x && x.kind === 'data-location';
 }
 exports.isDataLocation = isDataLocation;
-//# sourceMappingURL=location.js.map

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

@@ -328,4 +328,3 @@ var Loci;
     Loci.normalize = normalize;
 })(Loci || (Loci = {}));
 exports.Loci = Loci;
-//# sourceMappingURL=loci.js.map

package/lib/commonjs/mol-model/sequence/alignment/alignment.js

@@ -178,4 +178,3 @@ var Alignment = /** @class */ (function () {
     };
     return Alignment;
 }());
-//# sourceMappingURL=alignment.js.map

package/lib/commonjs/mol-model/sequence/alignment/sequence.js

@@ -94,4 +94,3 @@ function entityKey(unit) {
 function getSequence(unit) {
     return unit.model.sequence.byEntityKey[entityKey(unit)].sequence;
 }
-//# sourceMappingURL=sequence.js.map

package/lib/commonjs/mol-model/sequence/alignment/substitution-matrix.js

@@ -72,4 +72,3 @@ exports.SubstitutionMatrices = (function () { return ({
     blosum62: prepareMatrix(aminoacids, blosum62),
     blosum62x: prepareMatrix(aminoacidsX, blosum62x)
 }); })();
-//# sourceMappingURL=substitution-matrix.js.map

package/lib/commonjs/mol-model/sequence/alignment.js

@@ -1,2 +1 @@
 "use strict";
-//# sourceMappingURL=alignment.js.map

package/lib/commonjs/mol-model/sequence/constants.js

@@ -70,4 +70,3 @@ function getDnaOneLetterCode(residueName) {
     return code || 'X';
 }
 exports.getDnaOneLetterCode = getDnaOneLetterCode;
-//# sourceMappingURL=constants.js.map

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

@@ -159,4 +159,3 @@ var Sequence;
     }());
 })(Sequence || (Sequence = {}));
 exports.Sequence = Sequence;
-//# sourceMappingURL=sequence.js.map

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

@@ -7,4 +7,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./sequence/sequence"), exports);
-//# sourceMappingURL=sequence.js.map

package/lib/commonjs/mol-model/shape/provider.js

@@ -5,4 +5,3 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=provider.js.map

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

@@ -213,4 +213,3 @@ var ShapeGroup;
     }
     ShapeGroup.getBoundingSphere = getBoundingSphere;
 })(ShapeGroup = exports.ShapeGroup || (exports.ShapeGroup = {}));
-//# sourceMappingURL=shape.js.map

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

@@ -7,4 +7,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./shape/shape"), exports);
-//# sourceMappingURL=shape.js.map

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

@@ -121,4 +121,3 @@ var Coordinates;
     }
 })(Coordinates || (Coordinates = {}));
 exports.Coordinates = Coordinates;
-//# sourceMappingURL=coordinates.js.map

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

@@ -7,4 +7,3 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
 (0, tslib_1.__exportStar)(require("./coordinates/coordinates"), exports);
-//# sourceMappingURL=coordinates.js.map

package/lib/commonjs/mol-model/structure/export/categories/atom_site.js

@@ -8,6 +8,8 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.atomIdFields = exports.entityIdFields = exports.chainIdFields = exports.residueIdFields = exports._atom_site = void 0;
 var cif_1 = require("../../../../mol-io/writer/cif");
+var mmcif_1 = require("../../../../mol-model-formats/structure/mmcif");
+var sifts_mapping_1 = require("../../../../mol-model-props/sequence/sifts-mapping");
 var structure_1 = require("../../structure");
 var CifField = cif_1.CifWriter.Field;
 var E = cif_1.CifWriter.Encodings;
@@ -25,6 +27,61 @@ function atom_site_auth_asym_id(e) {
         return l;
     return l + suffix;
 }
+var atom_site_pdbx_label_index = {
+    shouldInclude: function (s) {
+        var _a;
+        return !!((_a = s.atom_site) === null || _a === void 0 ? void 0 : _a.pdbx_label_index.isDefined);
+    },
+    value: function (e, d) {
+        var srcIndex = d.sourceIndex.value(e.element);
+        return d.atom_site.pdbx_label_index.value(srcIndex);
+    },
+};
+var SIFTS = {
+    shouldInclude: function (s) {
+        return sifts_mapping_1.SIFTSMapping.isAvailable(s.structure.models[0]);
+    },
+    pdbx_sifts_xref_db_name: {
+        value: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_name.value(srcIndex);
+        },
+        valueKind: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_name.valueKind(srcIndex);
+        },
+    },
+    pdbx_sifts_xref_db_acc: {
+        value: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_acc.value(srcIndex);
+        },
+        valueKind: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_acc.valueKind(srcIndex);
+        },
+    },
+    pdbx_sifts_xref_db_num: {
+        value: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_num.value(srcIndex);
+        },
+        valueKind: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_num.valueKind(srcIndex);
+        },
+    },
+    pdbx_sifts_xref_db_res: {
+        value: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_res.value(srcIndex);
+        },
+        valueKind: function (e, d) {
+            var srcIndex = d.sourceIndex.value(e.element);
+            return d.atom_site.pdbx_sifts_xref_db_res.valueKind(srcIndex);
+        },
+    }
+};
 var atom_site_fields = function () { return cif_1.CifWriter.fields()
     .str('group_PDB', structure_1.StructureProperties.residue.group_PDB)
     .index('id')
@@ -56,6 +113,12 @@ var atom_site_fields = function () { return cif_1.CifWriter.fields()
     .int('auth_seq_id', structure_1.StructureProperties.residue.auth_seq_id, { encoder: E.deltaRLE })
     .str('auth_asym_id', atom_site_auth_asym_id)
     .int('pdbx_PDB_model_num', structure_1.StructureProperties.unit.model_num, { encoder: E.deltaRLE })
+    .int('pdbx_label_index', atom_site_pdbx_label_index.value, { shouldInclude: atom_site_pdbx_label_index.shouldInclude })
+    // SIFTS
+    .str('pdbx_sifts_xref_db_name', SIFTS.pdbx_sifts_xref_db_name.value, { shouldInclude: SIFTS.shouldInclude, valueKind: SIFTS.pdbx_sifts_xref_db_name.valueKind })
+    .str('pdbx_sifts_xref_db_acc', SIFTS.pdbx_sifts_xref_db_acc.value, { shouldInclude: SIFTS.shouldInclude, valueKind: SIFTS.pdbx_sifts_xref_db_acc.valueKind })
+    .str('pdbx_sifts_xref_db_num', SIFTS.pdbx_sifts_xref_db_num.value, { shouldInclude: SIFTS.shouldInclude, valueKind: SIFTS.pdbx_sifts_xref_db_num.valueKind })
+    .str('pdbx_sifts_xref_db_res', SIFTS.pdbx_sifts_xref_db_res.value, { shouldInclude: SIFTS.shouldInclude, valueKind: SIFTS.pdbx_sifts_xref_db_res.valueKind })
     // .str('operator_name', P.unit.operator_name, {
     //     shouldInclude: structure => structure.units.some(u => !u.conformation.operator.isIdentity)
     // })
@@ -67,7 +130,11 @@ exports._atom_site = {
         return {
             fields: atom_site_fields(),
             source: structures.map(function (s) { return ({
-                data: s,
+                data: {
+                    structure: s,
+                    sourceIndex: s.model.atomicHierarchy.atomSourceIndex,
+                    atom_site: mmcif_1.MmcifFormat.is(s.model.sourceData) ? s.model.sourceData.data.db.atom_site : void 0
+                },
                 rowCount: s.elementCount,
                 keys: function () { return s.elementLocations(); }
             }); })
@@ -157,4 +224,3 @@ function atomIdFields(getLocation, options) {
     return ret.getFields();
 }
 exports.atomIdFields = atomIdFields;
-//# sourceMappingURL=atom_site.js.map

package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js

@@ -86,4 +86,3 @@ function getEntries(ctx) {
     }
     return entries;
 }
-//# sourceMappingURL=atom_site_operator_mapping.js.map

package/lib/commonjs/mol-model/structure/export/categories/misc.js

@@ -60,4 +60,3 @@ exports._pdbx_nonpoly_scheme = {
         return CifCategory.ofTable(pdbx_nonpoly_scheme);
     }
 };
-//# sourceMappingURL=misc.js.map

package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js

@@ -99,4 +99,3 @@ function findElements(ctx, kind) {
     }
     return ssElements;
 }
-//# sourceMappingURL=secondary-structure.js.map

package/lib/commonjs/mol-model/structure/export/categories/sequence.js

@@ -31,4 +31,3 @@ function getCategoryInstance(structures, categoryName, cache) {
     var indices = db_1.Column.indicesOf(entity_id, function (id) { return names.has(id); });
     return CifCategory.ofTable(category, indices);
 }
-//# sourceMappingURL=sequence.js.map

package/lib/commonjs/mol-model/structure/export/categories/utils.js

@@ -107,4 +107,3 @@ function classifyField(name, field) {
         return cif_1.CifWriter.Field.int(name, field.int, { valueKind: field.valueKind, typedArray: Int32Array });
     }
 }
-//# sourceMappingURL=utils.js.map

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

@@ -244,4 +244,3 @@ function to_mmCIF(name, structure, asBinary, params) {
     return enc.getData();
 }
 exports.to_mmCIF = to_mmCIF;
-//# sourceMappingURL=mmcif.js.map

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

@@ -5,4 +5,3 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=indexing.js.map

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>
@@ -30,6 +30,7 @@ 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), 
@@ -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 };
@@ -52,7 +54,7 @@ var Model;
     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;
+            var models, model, trajectory, bondData, indexPairBonds, coarseGrained, index, _a, trajectory_2, m;
             return (0, tslib_1.__generator)(this, function (_b) {
                 switch (_b.label) {
                     case 0: return [4 /*yield*/, (0, parser_1.createModels)(topology.basic, topology.sourceData, ctx)];
@@ -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