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Commit 522d929f authored by Alexander Rose's avatar Alexander Rose
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handle UNK as amino acid

parent 42037074
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...@@ -221,6 +221,8 @@ export const WaterNames = new Set([ ...@@ -221,6 +221,8 @@ export const WaterNames = new Set([
export const AminoAcidNamesL = new Set([ 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
]) ])
export const AminoAcidNamesD = new Set([ export const AminoAcidNamesD = new Set([
'DAL', // D-ALANINE 'DAL', // D-ALANINE
......
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