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Running
Running
yinuozhang
commited on
Commit
•
84bbd6a
1
Parent(s):
6a8393c
update more aa recog
Browse files
app.py
CHANGED
@@ -236,6 +236,59 @@ class PeptideAnalyzer:
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if not any(p in content for p in ['C(C)C', 'COC', 'CN(', 'C(C)O']):
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return 'Ala', mods
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return None, mods
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def get_modifications(self, segment):
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if not any(p in content for p in ['C(C)C', 'COC', 'CN(', 'C(C)O']):
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return 'Ala', mods
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+
# Tyrosine (Tyr) - 4-hydroxybenzyl side chain
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if ('Cc2ccc(O)cc2' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Tyr', mods
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# Tryptophan (Trp) - Indole side chain
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if ('Cc2c[nH]c3ccccc23' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Trp', mods
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# Serine (Ser) - Hydroxymethyl side chain
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if '[C@H](CO)' in content or '[C@@H](CO)' in content:
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if not ('C(C)O' in content or 'COC' in content):
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return 'Ser', mods
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# Threonine (Thr) - 1-hydroxyethyl side chain
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if '[C@@H]([C@@H](C)O)' in content or '[C@H]([C@H](C)O)' in content:
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return 'Thr', mods
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# Cysteine (Cys) - Thiol side chain
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if '[C@H](CS)' in content or '[C@@H](CS)' in content:
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return 'Cys', mods
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# Methionine (Met) - Methylthioethyl side chain
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if ('C[C@H](CCSC)' in content or 'C[C@@H](CCSC)' in content):
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return 'Met', mods
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# Asparagine (Asn) - Carbamoylmethyl side chain
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if ('CC(=O)N' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Asn', mods
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# Glutamine (Gln) - Carbamoylethyl side chain
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if ('CCC(=O)N' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Gln', mods
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# Aspartic acid (Asp) - Carboxymethyl side chain
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if ('CC(=O)O' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Asp', mods
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# Glutamic acid (Glu) - Carboxyethyl side chain
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if ('CCC(=O)O' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Glu', mods
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# Lysine (Lys) - 4-aminobutyl side chain
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if ('C[C@H](CCCCN)' in content or 'C[C@@H](CCCCN)' in content):
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return 'Lys', mods
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# Arginine (Arg) - 3-guanidinopropyl side chain
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if ('CCCNC(=N)N' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'Arg', mods
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# Histidine (His) - Imidazole side chain
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if ('Cc2cnc[nH]2' in content) and ('C[C@H]' in content or 'C[C@@H]' in content):
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return 'His', mods
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return None, mods
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def get_modifications(self, segment):
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