updating notes to running_scripts.py as running for another drug-target

This commit is contained in:
Tanushree Tunstall 2020-11-17 13:55:16 +00:00
parent ac5b86a9cd
commit 802522d1c6
3 changed files with 6 additions and 4 deletions

View file

@ -156,6 +156,7 @@ def extract_chain_dssp(inputpdbfile):
return pdbchainlist
#=======================================================================
#%% write csv of processed dssp output
# FIXME specify chain as cmd option!
def dssp_to_csv(inputdsspfile, outfile, pdbchainlist = ['A']):
"""
Create a df from a dssp file containing ASA, RSA, SS for all chains