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minor tidy up in foldx, mcsm and dssp scripts

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This commit is contained in:
Tanushree Tunstall 2020-07-09 14:04:16 +01:00
parent 44597ec563
commit 08379c0def
3 changed files with 19 additions and 10 deletions
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10
scripts/dssp_df.py
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@ -60,9 +60,9 @@ pdb_filename = args.pdb_file
DEBUG = args.debug
#==========
# dirs
#==========
#=============
# directories
#=============
if data_dir:
datadir = data_dir
else:
@ -204,8 +204,8 @@ def dssp_to_csv(inputdsspfile, outfile, pdbchainlist = ['A']):
#=======================================================================
def main():
print('Running dssp with the following params:\n'
, '\ninput pdb:', in_filename_pdb
, '\noutfile:', out_filename_dssp_csv)
, '\nInput pdb file:', in_filename_pdb
, '\nOutput:', out_filename_dssp_csv)
dssp_file_from_pdb(infile_pdb, dssp_file, DSSP = "dssp")
my_chains = extract_chain_dssp(infile_pdb)
dssp_to_csv(dssp_file, outfile_dssp_csv, my_chains)