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Merge branch 'master' of https://github.com/molstar/molstar

David Sehnal 5 years ago
parent
commit
4c122227a7
3 changed files with 59 additions and 2 deletions
  1. 1 1
      package-lock.json
  2. 1 1
      package.json
  3. 57 0
      src/mol-io/reader/cif/schema/mmcif.ts

+ 1 - 1
package-lock.json

@@ -1,6 +1,6 @@
 {
   "name": "molstar",
-  "version": "0.6.0-dev.8",
+  "version": "0.6.0-dev.9",
   "lockfileVersion": 1,
   "requires": true,
   "dependencies": {

+ 1 - 1
package.json

@@ -1,6 +1,6 @@
 {
   "name": "molstar",
-  "version": "0.6.0-dev.8",
+  "version": "0.6.0-dev.9",
   "description": "A comprehensive macromolecular library.",
   "homepage": "https://github.com/molstar/molstar#readme",
   "repository": {

+ 57 - 0
src/mol-io/reader/cif/schema/mmcif.ts

@@ -2575,6 +2575,48 @@ export const mmCIF_Schema = {
          */
         ordinal: int,
     },
+    /**
+     * Data items in the pdbx_entity_instance_feature category records
+     * special features of selected entity instances.
+     */
+    pdbx_entity_instance_feature: {
+        /**
+         * Special structural details about this entity instance.
+         */
+        details: str,
+        /**
+         * A feature type associated with entity instance.
+         */
+        feature_type: Aliased<'SUBJECT OF INVESTIGATION' | 'NO FUNCTIONAL ROLE' | 'OTHER'>(str),
+        /**
+         * Author instance identifier (formerly PDB Chain ID)
+         */
+        auth_asym_id: str,
+        /**
+         * Instance identifier for this entity.
+         */
+        asym_id: str,
+        /**
+         * Author provided residue number.
+         */
+        auth_seq_num: str,
+        /**
+         * Position in the sequence.
+         */
+        seq_num: int,
+        /**
+         * Chemical component identifier
+         */
+        comp_id: str,
+        /**
+         * The author provided chemical component identifier
+         */
+        auth_comp_id: str,
+        /**
+         * An ordinal index for this category
+         */
+        ordinal: int,
+    },
     /**
      * Data items in the IHM_STARTING_MODEL_DETAILS category records the
      * details about structural models used as starting inputs in
@@ -4585,6 +4627,21 @@ export const mmCIF_Schema = {
          * PDBX_ENTITY_BRANCH_LIST category.
          */
         num: int,
+        /**
+         * This data item is a pointer to _atom_site.auth_asym_id in the
+         * ATOM_SITE category.
+         */
+        pdb_asym_id: str,
+        /**
+         * This data item is a pointer to _atom_site.auth_seq_id in the
+         * ATOM_SITE category.
+         */
+        pdb_seq_num: str,
+        /**
+         * This data item is a pointer to _atom_site.auth_comp_id in the
+         * ATOM_SITE category.
+         */
+        pdb_mon_id: str,
         /**
          * This data item is a pointer to _atom_site.pdbx_auth_asym_id in the
          * ATOM_SITE category.