From 75c686891d3a9503a2d261c2cd52800e720f861f Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Tue, 20 Mar 2018 20:24:10 -0700
Subject: [PATCH] added more useful mmcif fields

---
 data/mmcif-popular-field-names.csv    | 31 ++++++++++++++++++++++++
 src/mol-io/reader/cif/schema/mmcif.ts | 34 +++++++++++++++++++++++++++
 2 files changed, 65 insertions(+)

diff --git a/data/mmcif-popular-field-names.csv b/data/mmcif-popular-field-names.csv
index e8f7c91e1..3ac81d178 100644
--- a/data/mmcif-popular-field-names.csv
+++ b/data/mmcif-popular-field-names.csv
@@ -65,6 +65,12 @@ exptl.method
 struct.entry_id
 struct.title
 
+struct_asym.id
+struct_asym.pdbx_blank_PDB_chainid_flag
+struct_asym.pdbx_modified
+struct_asym.entity_id
+struct_asym.details
+
 struct_conf.conf_type_id
 struct_conf.id
 struct_conf.pdbx_PDB_helix_id
@@ -98,6 +104,7 @@ struct_conn.pdbx_ptnr1_PDB_ins_code
 struct_conn.pdbx_ptnr1_standard_comp_id
 struct_conn.ptnr1_symmetry
 struct_conn.ptnr2_label_asym_id
+struct_conn.ptnr2_label_comp_id
 struct_conn.ptnr2_label_seq_id
 struct_conn.ptnr2_label_atom_id
 struct_conn.pdbx_ptnr2_label_alt_id
@@ -144,6 +151,30 @@ struct_sheet_range.end_auth_comp_id
 struct_sheet_range.end_auth_asym_id
 struct_sheet_range.end_auth_seq_id
 
+struct_site.id
+struct_site.pdbx_evidence_code
+struct_site.pdbx_auth_asym_id
+struct_site.pdbx_auth_comp_id
+struct_site.pdbx_auth_seq_id
+struct_site.pdbx_auth_ins_code
+struct_site.pdbx_num_residues
+struct_site.details
+
+struct_site_gen.id
+struct_site_gen.site_id
+struct_site_gen.pdbx_num_res
+struct_site_gen.label_comp_id
+struct_site_gen.label_asym_id
+struct_site_gen.label_seq_id
+struct_site_gen.pdbx_auth_ins_code
+struct_site_gen.auth_comp_id
+struct_site_gen.auth_asym_id
+struct_site_gen.auth_seq_id
+struct_site_gen.label_atom_id
+struct_site_gen.label_alt_id
+struct_site_gen.symmetry
+struct_site_gen.details
+
 symmetry.entry_id
 symmetry.space_group_name_H-M
 symmetry.pdbx_full_space_group_name_H
diff --git a/src/mol-io/reader/cif/schema/mmcif.ts b/src/mol-io/reader/cif/schema/mmcif.ts
index e69111785..b52eba47a 100644
--- a/src/mol-io/reader/cif/schema/mmcif.ts
+++ b/src/mol-io/reader/cif/schema/mmcif.ts
@@ -96,6 +96,13 @@ export const mmCIF_Schema = {
         entry_id: str,
         title: str,
     },
+    struct_asym: {
+        details: str,
+        entity_id: str,
+        id: str,
+        pdbx_modified: str,
+        pdbx_blank_PDB_chainid_flag: Aliased<'Y' | 'N'>(str),
+    },
     struct_conf: {
         beg_label_asym_id: str,
         beg_label_comp_id: str,
@@ -132,6 +139,7 @@ export const mmCIF_Schema = {
         ptnr1_symmetry: str,
         ptnr2_label_asym_id: str,
         ptnr2_label_atom_id: str,
+        ptnr2_label_comp_id: str,
         ptnr2_label_seq_id: int,
         ptnr2_auth_asym_id: str,
         ptnr2_auth_comp_id: str,
@@ -180,6 +188,32 @@ export const mmCIF_Schema = {
         pdbx_beg_PDB_ins_code: str,
         pdbx_end_PDB_ins_code: str,
     },
+    struct_site: {
+        details: str,
+        id: str,
+        pdbx_num_residues: int,
+        pdbx_evidence_code: str,
+        pdbx_auth_asym_id: str,
+        pdbx_auth_comp_id: str,
+        pdbx_auth_seq_id: str,
+        pdbx_auth_ins_code: str,
+    },
+    struct_site_gen: {
+        details: str,
+        id: str,
+        label_alt_id: str,
+        label_asym_id: str,
+        label_atom_id: str,
+        label_comp_id: str,
+        label_seq_id: int,
+        auth_asym_id: str,
+        auth_comp_id: str,
+        auth_seq_id: str,
+        site_id: str,
+        symmetry: str,
+        pdbx_auth_ins_code: str,
+        pdbx_num_res: int,
+    },
     symmetry: {
         entry_id: str,
         cell_setting: Aliased<'triclinic' | 'monoclinic' | 'orthorhombic' | 'tetragonal' | 'rhombohedral' | 'trigonal' | 'hexagonal' | 'cubic'>(str),
-- 
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