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