Browse Source

updated cif schemas

Alexander Rose 6 years ago
parent
commit
fbfcedf3df

+ 1 - 1
src/apps/schema-generator/schema-from-cif-dic.ts

@@ -97,7 +97,7 @@ const IHM_DIC_URL = 'https://raw.githubusercontent.com/ihmwg/IHM-dictionary/mast
 const CARB_BRANCH_DIC_PATH = `${DIC_DIR}/entity_branch-extension.dic`
 const CARB_BRANCH_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/entity_branch-extension.dic'
 const CARB_COMP_DIC_PATH = `${DIC_DIR}/chem_comp-extension.dic`
-const CARB_COMP_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/chem_comp-extension.txt'
+const CARB_COMP_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/chem_comp-extension.dic'
 
 const parser = new argparse.ArgumentParser({
   addHelp: true,

+ 2 - 2
src/mol-io/reader/cif/schema/bird.ts

@@ -1,7 +1,7 @@
 /**
  * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
- * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.300, IHM 0.136, CARB draft.
+ * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.303, IHM 0.139, CARB draft.
  *
  * @author mol-star package (src/apps/schema-generator/generate)
  */
@@ -483,7 +483,7 @@ export const BIRD_Schema = {
         /**
          * An identifier for the wwPDB site creating or modifying the molecule.
          */
-        processing_site: str,
+        processing_site: Aliased<'RCSB' | 'PDBe' | 'PDBJ' | 'BMRB'>(str),
         /**
          * The action associated with this audit record.
          */

+ 2 - 2
src/mol-io/reader/cif/schema/ccd.ts

@@ -1,7 +1,7 @@
 /**
  * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
- * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.300, IHM 0.136, CARB draft.
+ * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.303, IHM 0.139, CARB draft.
  *
  * @author mol-star package (src/apps/schema-generator/generate)
  */
@@ -378,7 +378,7 @@ export const CCD_Schema = {
         /**
          * This data item contains the identifier type.
          */
-        type: Aliased<'COMMON NAME' | 'SYSTEMATIC NAME' | 'CAS REGISTRY NUMBER' | 'PUBCHEM Identifier' | 'MDL Identifier' | 'SYNONYM'>(str),
+        type: Aliased<'COMMON NAME' | 'SYSTEMATIC NAME' | 'CAS REGISTRY NUMBER' | 'PUBCHEM Identifier' | 'MDL Identifier' | 'SYNONYM' | 'CONDENSED IUPAC CARB SYMBOL' | 'IUPAC CARB SYMBOL' | 'SNFG CARB SYMBOL'>(str),
         /**
          * This data item contains the name of the program
          * or library used to compute the identifier.

+ 3 - 4
src/mol-io/reader/cif/schema/mmcif.ts

@@ -1,7 +1,7 @@
 /**
  * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
- * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.300, IHM 0.136, CARB draft.
+ * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.303, IHM 0.139, CARB draft.
  *
  * @author mol-star package (src/apps/schema-generator/generate)
  */
@@ -3687,12 +3687,11 @@ export const mmCIF_Schema = {
         /**
          * The type of feature.
          */
-        feature_type: Aliased<'atom' | 'residue' | 'residue range'>(str),
+        feature_type: Aliased<'atom' | 'residue' | 'residue range' | 'ligand' | 'pseudo site'>(str),
         /**
          * The type of entity.
-         * This data item is a pointer to _entity.type in the ENTITY category.
          */
-        entity_type: Aliased<'polymer' | 'non-polymer' | 'macrolide' | 'water'>(str),
+        entity_type: Aliased<'polymer' | 'non-polymer' | 'water' | 'other'>(str),
     },
     /**
      * Data items in the IHM_POLY_RESIDUE_FEATURE category provides the defintions