mid-june update

cctbx · Jun 25, 2024 · c779886 · c779886
1 parent 8381e63
commit c779886
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Showing 4 changed files with 23 additions and 4 deletions.
diff --git a/iotbx/pdb/modified_aa_names.h b/iotbx/pdb/modified_aa_names.h
@@ -5,7 +5,7 @@ This file is generated by the following procedure:
   phenix.python elbow/elbow/scripts/process_amino_acid_parentage_from_chemical_componts.py
 
 This file is intended to be generated monthly.
-The date of file generation: Wed May  8 17:01:20 2024
+The date of file generation: Mon Jun 24 07:02:52 2024
 */
 
 #include <string>
@@ -474,6 +474,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "A1ADW",
     "A1ADY",
     "A1ADZ",
+    "A1AQ4",
     "A5R",
     "A66",
     "A67",
@@ -900,6 +901,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "QAC",
     "QQB",
     "QRG",
+    "QUK",
     "QWE",
     "QXV",
     "R00",
@@ -1068,8 +1070,10 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "ZU5",
     "ZUK",
     "ZXX",
+    "ZY9",
     "ZYA",
     "ZZU",
+    "YWF", // parent is ABU
     "OGU", // parent is ACY
     "02K", // parent is ALA
     "02O",
@@ -1098,6 +1102,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "7OZ",
     "7VN",
     "9WV",
+    "A1H5W",
     "AA3",
     "AA4",
     "ABA",
@@ -1539,6 +1544,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "2LU",
     "2ML",
     "8WY",
+    "A1ADO",
     "AN6",
     "BL2",
     "BLE",
@@ -2051,6 +2057,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "4LZ",
     "51T",
     "73O",
+    "A1D5P",
     "A30",
     "AGQ",
     "AZY",
@@ -2142,6 +2149,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "VAI",
     "WVL",
     "X60",
+    "ZQN",
     0
   };
 

diff --git a/iotbx/pdb/modified_aa_names.py b/iotbx/pdb/modified_aa_names.py
@@ -7,7 +7,7 @@
   phenix.python elbow/elbow/scripts/process_amino_acid_parentage_from_chemical_componts.py
 
 This file is intended to be generated monthly.
-The date of file generation: Wed May  8 17:01:20 2024
+The date of file generation: Mon Jun 24 07:02:52 2024
 """
 from __future__ import absolute_import, division, print_function
 
@@ -472,6 +472,7 @@
   "A1ADW" : "?",
   "A1ADY" : "?",
   "A1ADZ" : "?",
+  "A1AQ4" : "?",
   "A5R" : "?",
   "A66" : "?",
   "A67" : "?",
@@ -898,6 +899,7 @@
   "QAC" : "?",
   "QQB" : "?",
   "QRG" : "?",
+  "QUK" : "?",
   "QWE" : "?",
   "QXV" : "?",
   "R00" : "?",
@@ -1066,6 +1068,7 @@
   "ZU5" : "?",
   "ZUK" : "?",
   "ZXX" : "?",
+  "ZY9" : "?",
   "ZYA" : "?",
   "ZZU" : "?",
   "02K" : "A",
@@ -1095,6 +1098,7 @@
   "7OZ" : "A",
   "7VN" : "A",
   "9WV" : "A",
+  "A1H5W" : "A",
   "AA3" : "A",
   "AA4" : "A",
   "ABA" : "A",
@@ -1533,6 +1537,7 @@
   "2LU" : "L",
   "2ML" : "L",
   "8WY" : "L",
+  "A1ADO" : "L",
   "AN6" : "L",
   "BL2" : "L",
   "BLE" : "L",
@@ -2044,6 +2049,7 @@
   "4LZ" : "Y",
   "51T" : "Y",
   "73O" : "Y",
+  "A1D5P" : "Y",
   "A30" : "Y",
   "AGQ" : "Y",
   "AZY" : "Y",
@@ -2134,6 +2140,7 @@
   "VAI" : "V",
   "WVL" : "V",
   "X60" : "V",
+  "ZQN" : "V",
 }
 if __name__ == '__main__':
   print(len(lookup.keys()))
diff --git a/iotbx/pdb/modified_rna_dna_names.h b/iotbx/pdb/modified_rna_dna_names.h
@@ -5,7 +5,7 @@ This file is generated by the following procedure:
   phenix.python elbow/elbow/scripts/process_amino_acid_parentage_from_chemical_componts.py
 
 This file is intended to be generated monthly.
-The date of file generation: Wed May  8 17:01:21 2024
+The date of file generation: Mon Jun 24 07:02:53 2024
 */
 
 #include <string>
@@ -281,6 +281,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "6MZ",
     "6NW",
     "7AT",
+    "7RZ",
     "8AH",
     "8AN",
     "9SI",
@@ -606,6 +607,7 @@ namespace iotbx { namespace pdb { namespace common_residue_names {
     "F3H",
     "F4H",
     "JDT",
+    "L5R",
     "LSH",
     "LST",
     "MMT",

diff --git a/iotbx/pdb/modified_rna_dna_names.py b/iotbx/pdb/modified_rna_dna_names.py
@@ -7,7 +7,7 @@
   phenix.python elbow/elbow/scripts/process_amino_acid_parentage_from_chemical_componts.py
 
 This file is intended to be generated monthly.
-The date of file generation: Wed May  8 17:01:21 2024
+The date of file generation: Mon Jun 24 07:02:53 2024
 """
 from __future__ import absolute_import, division, print_function
 
@@ -279,6 +279,7 @@
   "6MZ" : "A",
   "6NW" : "A",
   "7AT" : "A",
+  "7RZ" : "A",
   "8AH" : "A",
   "8AN" : "A",
   "9SI" : "A",
@@ -604,6 +605,7 @@
   "F3H" : "DT",
   "F4H" : "DT",
   "JDT" : "DT",
+  "L5R" : "DT",
   "LSH" : "DT",
   "LST" : "DT",
   "MMT" : "DT",