drugflow-molstar 0.3.21 → 0.3.22

package/build/drugflow-molstar-plugin-0.3.22.js.LICENSE.txt

@@ -0,0 +1,39 @@
+/**
+ * @license React
+ * react-dom.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * react-jsx-runtime.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * react.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * scheduler.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */

package/lib/drugflow-molstar-component-build-0.3.22.js

@@ -0,0 +1,2 @@
+/*! For license information please see drugflow-molstar-component-build-0.3.22.js.LICENSE.txt */
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package/lib/drugflow-molstar-component-build-0.3.22.js.LICENSE.txt

@@ -0,0 +1,24 @@
+/**
+ * @license
+ * Copyright (c) 2017 The Polymer Project Authors. All rights reserved.
+ * This code may only be used under the BSD style license found at
+ * http://polymer.github.io/LICENSE.txt
+ * The complete set of authors may be found at
+ * http://polymer.github.io/AUTHORS.txt
+ * The complete set of contributors may be found at
+ * http://polymer.github.io/CONTRIBUTORS.txt
+ * Code distributed by Google as part of the polymer project is also
+ * subject to an additional IP rights grant found at
+ * http://polymer.github.io/PATENTS.txt
+ */
+
+/**
+@license
+Copyright (c) 2019 The Polymer Project Authors. All rights reserved.
+This code may only be used under the BSD style license found at
+http://polymer.github.io/LICENSE.txt The complete set of authors may be found at
+http://polymer.github.io/AUTHORS.txt The complete set of contributors may be
+found at http://polymer.github.io/CONTRIBUTORS.txt Code distributed by Google as
+part of the polymer project is also subject to an additional IP rights grant
+found at http://polymer.github.io/PATENTS.txt
+*/

package/lib/index.js

@@ -1002,11 +1002,11 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
             if (this.granularity === 'element') {
                 structure_1.Structure.eachAtomicHierarchyElement(structure, {
                     atom: function (loc) {
-                        var res_id = structure_1.StructureProperties.residue.label_seq_id(loc);
+                        var res_id = structure_1.StructureProperties.residue.auth_seq_id(loc);
                         var res_name = structure_1.StructureProperties.atom.label_comp_id(loc);
-                        var chain = structure_1.StructureProperties.chain.label_asym_id(loc);
+                        var chain = structure_1.StructureProperties.chain.auth_asym_id(loc);
                         var res_type = structure_1.StructureProperties.residue.group_PDB(loc);
-                        var atom_name = structure_1.StructureProperties.atom.label_atom_id(loc);
+                        var atom_name = structure_1.StructureProperties.atom.auth_atom_id(loc);
                         var atom_id = structure_1.StructureProperties.atom.id(loc);
                         localSelected.push({ chain: chain, res_id: res_id, res_type: res_type, atom_name: atom_name, atom_id: atom_id, res_name: res_name });
                     }
@@ -1015,9 +1015,9 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
             else if (this.granularity === 'residue') {
                 structure_1.Structure.eachAtomicHierarchyElement(structure, {
                     residue: function (loc) {
-                        var res_id = structure_1.StructureProperties.residue.label_seq_id(loc);
+                        var res_id = structure_1.StructureProperties.residue.auth_seq_id(loc);
                         var res_name = structure_1.StructureProperties.atom.label_comp_id(loc);
-                        var chain = structure_1.StructureProperties.chain.label_asym_id(loc);
+                        var chain = structure_1.StructureProperties.chain.auth_asym_id(loc);
                         var res_type = structure_1.StructureProperties.residue.group_PDB(loc);
                         localSelected.push({ chain: chain, res_id: res_id, res_type: res_type, res_name: res_name });
                     }
@@ -1043,20 +1043,20 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
         var data = this.plugin.state.data.select(this.assemblyRef)[0].obj.data;
         structure_1.Structure.eachAtomicHierarchyElement(data, {
             chain: function (loc) {
-                var chain = structure_1.StructureProperties.chain.label_asym_id(loc);
+                var chain = structure_1.StructureProperties.chain.auth_asym_id(loc);
                 if (pdb_info.chain_name_set.indexOf(chain) === -1) {
-                    pdb_info['chain'].push({ 'struct_asym_id': chain });
+                    pdb_info['chain'].push({ 'auth_asym_id': chain });
                     pdb_info['chain_name_set'].push(chain);
                 }
             },
             residue: function (loc) {
-                var res_id = structure_1.StructureProperties.residue.label_seq_id(loc);
+                var res_id = structure_1.StructureProperties.residue.auth_seq_id(loc);
                 var res_name = structure_1.StructureProperties.atom.label_comp_id(loc);
-                var chain = structure_1.StructureProperties.chain.label_asym_id(loc);
+                var chain = structure_1.StructureProperties.chain.auth_asym_id(loc);
                 var res_type = structure_1.StructureProperties.residue.group_PDB(loc);
                 if (res_type === 'HETATM') {
                     if (pdb_info.ligand_id_set.indexOf(res_id) === -1 && res_name !== 'HOH') {
-                        pdb_info['ligand'].push({ 'residue_number': res_id, 'struct_asym_id': chain, 'residue_name': res_name });
+                        pdb_info['ligand'].push({ 'auth_residue_number': res_id, 'auth_asym_id': chain, 'residue_name': res_name });
                         pdb_info['ligand_id_set'].push(res_id);
                     }
                     if (res_name === 'HOH') {

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "drugflow-molstar",
-  "version": "0.3.21",
+  "version": "0.3.22",
   "description": "Molstar implementation for DrugFlow",
   "main": "index.js",
   "scripts": {