tanu/LSHTM_analysis
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Tanushree Tunstall 2021-02-08 16:16:53 +00:00
parent c9698d7550
commit fab1fb0492
3 changed files with 7 additions and 4 deletions
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3
foldx/test2/runFoldx.py
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@ -105,6 +105,7 @@ else:
infile_pdb = indir + '/' + pdb_filename
actual_pdb_filename = Path(infile_pdb).name
#actual_pdb_filename = os.path.abspath(infile_pdb)
if mut_filename:
mutation_file = os.path.abspath(mut_filename)
@ -208,9 +209,11 @@ def main():
print('start')
#subprocess.check_output(['bash','repairPDB.sh', pdbname, process_dir])
print('\033[95mSTAGE: repair PDB\033[0m')
print('EXECUTING: repairPDB.sh %s %s %s' % (indir, actual_pdb_filename, process_dir))
subprocess.check_output(['bash','repairPDB.sh', indir, actual_pdb_filename, process_dir])
print('\033[95mCOMPLETE: repair PDB\033[0m')
print('\033[95mSTAGE: run FoldX (shell)\033[0m')
print('EXECUTING: runfoldx.sh %s %s ' % (pdbname, process_dir))
output = subprocess.check_output(['bash', 'runfoldx.sh', pdbname, process_dir])
print('\033[95mCOMPLETE: run FoldX (shell)\033[0m')