diff --git a/iotbx/pdb/modified_aa_names.h b/iotbx/pdb/modified_aa_names.h index 2966a40e5d..458e1a93c7 100644 --- 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 @@ -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 index 23ecf4c880..3e26067704 100644 --- 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 index 8e502c1e90..52f833ffea 100644 --- 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 @@ -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 index d16d4a472d..00d84be684 100644 --- 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",