updating notes to running_scripts.py as running for another drug-target
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3 changed files with 6 additions and 4 deletions
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@ -156,6 +156,7 @@ def extract_chain_dssp(inputpdbfile):
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return pdbchainlist
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#=======================================================================
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#%% write csv of processed dssp output
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# FIXME specify chain as cmd option!
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def dssp_to_csv(inputdsspfile, outfile, pdbchainlist = ['A']):
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"""
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Create a df from a dssp file containing ASA, RSA, SS for all chains
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