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Unverified Commit 649e7791 authored by valasatava's avatar valasatava Committed by GitHub
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Add HYP to the list of amino acids (#815)

* add modified amino acid "hydroxyproline" (HYP) present in collagen molecules to the list of amino acids

* update changelog
parent f61e0e72
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...@@ -16,6 +16,7 @@ Note that since we don't clearly distinguish between a public and private interf ...@@ -16,6 +16,7 @@ Note that since we don't clearly distinguish between a public and private interf
- uses custom mmcif categories `_sb_ncbr_partial_atomic_charges_meta` and `_sb_ncbr_partial_atomic_charges` (more info in [README.md](./src/extensions/sb-ncbr/README.md)) - uses custom mmcif categories `_sb_ncbr_partial_atomic_charges_meta` and `_sb_ncbr_partial_atomic_charges` (more info in [README.md](./src/extensions/sb-ncbr/README.md))
- Parse HEADER record when reading PDB file - Parse HEADER record when reading PDB file
- Support `ignoreHydrogens` in interactions representation - Support `ignoreHydrogens` in interactions representation
- Add hydroxyproline (HYP) commonly present in collagen molecules to the list of amino acids
## [v3.34.0] - 2023-04-16 ## [v3.34.0] - 2023-04-16
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...@@ -26,6 +26,7 @@ ...@@ -26,6 +26,7 @@
* Non-standard residues * Non-standard residues
* Protein (1BRR, 5Z6Y) * Protein (1BRR, 5Z6Y)
* DNA (5D3G) * DNA (5D3G)
* Collagen (6JEC)
* Multiple models with different sets of ligands or missing ligands (1J6T, 1VRC, 2ICY, 1O2F) * Multiple models with different sets of ligands or missing ligands (1J6T, 1VRC, 2ICY, 1O2F)
* Long linear sugar chain (4HG6) * Long linear sugar chain (4HG6)
* Anisotropic B-factors/Ellipsoids (1EJG) * Anisotropic B-factors/Ellipsoids (1EJG)
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...@@ -252,7 +252,7 @@ export const AminoAcidNamesL = new Set([ ...@@ -252,7 +252,7 @@ export const AminoAcidNamesL = new Set([
'HIS', 'ARG', 'LYS', 'ILE', 'PHE', 'LEU', 'TRP', 'ALA', 'MET', 'PRO', 'CYS', 'HIS', 'ARG', 'LYS', 'ILE', 'PHE', 'LEU', 'TRP', 'ALA', 'MET', 'PRO', 'CYS',
'ASN', 'VAL', 'GLY', 'SER', 'GLN', 'TYR', 'ASP', 'GLU', 'THR', 'SEC', 'PYL', 'ASN', 'VAL', 'GLY', 'SER', 'GLN', 'TYR', 'ASP', 'GLU', 'THR', 'SEC', 'PYL',
'UNK', // unknown amino acid from CCD 'UNK', // unknown amino acid from CCD
'MSE', 'SEP', 'TPO', 'PTR', 'PCA', // common from CCD 'MSE', 'SEP', 'TPO', 'PTR', 'PCA', 'HYP', // common from CCD
// charmm ff // charmm ff
'HSD', 'HSE', 'HSP', 'LSN', 'ASPP', 'GLUP', 'HSD', 'HSE', 'HSP', 'LSN', 'ASPP', 'GLUP',
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