fixup broken shell scripts
This commit is contained in:
parent
1f8cfc2403
commit
fa25a30dcf
3 changed files with 24 additions and 6 deletions
|
@ -207,31 +207,44 @@ def main():
|
|||
print(mutlist)
|
||||
print('start')
|
||||
#subprocess.check_output(['bash','repairPDB.sh', pdbname, process_dir])
|
||||
print('\033[95mSTAGE: repair PDB\033[0m')
|
||||
subprocess.check_output(['bash','repairPDB.sh', indir, actual_pdb_filename, process_dir])
|
||||
|
||||
print('end')
|
||||
print('\033[95mCOMPLETE: repair PDB\033[0m')
|
||||
print('\033[95mSTAGE: run FoldX (shell)\033[0m')
|
||||
output = subprocess.check_output(['bash', 'runfoldx.sh', pdbname, process_dir])
|
||||
print('\033[95mCOMPLETE: run FoldX (shell)\033[0m')
|
||||
|
||||
print('\033[95mSTAGE: Print Networks (shell)\033[0m')
|
||||
for n in range(1,nmuts+1):
|
||||
print(n)
|
||||
print('\033[95mNETWORK:\033[0m', n)
|
||||
print('\033[96mCommand:\033[0m runPrintNetworks.sh %s %s %s' % (pdbname, str(n), process_dir ))
|
||||
with suppress(Exception):
|
||||
subprocess.check_output(['bash', 'runPrintNetworks.sh', pdbname, str(n), process_dir])
|
||||
|
||||
print('\033[95mCOMPLETE: Print Networks (shell)\033[0m')
|
||||
|
||||
print('\033[95mSTAGE: Rename Mutation Files (shell)\033[0m')
|
||||
for n in range(1,nmuts+1):
|
||||
print(n)
|
||||
print('\033[95mMUTATION:\033[0m', n)
|
||||
print('\033[96mCommand:\033[0m mutrenamefiles.sh %s %s %s' % (pdbname, str(n), process_dir ))
|
||||
with suppress(Exception):
|
||||
subprocess.check_output(['bash', 'mutrenamefiles.sh', pdbname, str(n), process_dir])
|
||||
print('\033[95mCOMPLETE: Rename Mutation Files (shell)\033[0m')
|
||||
|
||||
print('\033[95mSTAGE: Rename Files (shell)\033[0m')
|
||||
out = subprocess.check_output(['bash','renamefiles.sh', pdbname, process_dir])
|
||||
print('\033[95mCOMPLETE: Rename Files (shell)\033[0m')
|
||||
|
||||
if comp=='y':
|
||||
print('\033[95mSTAGE: Run Complex (shell)\033[0m')
|
||||
chain1=chainA
|
||||
chain2=chainB
|
||||
with suppress(Exception):
|
||||
subprocess.check_output(['bash','runcomplex.sh', pdbname, chain1, chain2, process_dir])
|
||||
for n in range(1,nmuts+1):
|
||||
print('\033[95mSTAGE: Run Mutation Complex (shell) for mutation:\033[0m', n)
|
||||
with suppress(Exception):
|
||||
subprocess.check_output(['bash','mutruncomplex.sh', pdbname, chain1, chain2, str(n), process_dir])
|
||||
print('\033[95mCOMPLETE: Run Complex (shell)\033[0m')
|
||||
|
||||
interactions = ['Distances','Electro_RR','Electro_MM','Electro_SM','Electro_SS','Disulfide_RR','Disulfide_MM','Disulfide_SM','Disulfide_SS',
|
||||
'Hbonds_RR','Hbonds_MM','Hbonds_SM','Hbonds_SS','Partcov_RR','Partcov_MM','Partcov_SM','Partcov_SS','VdWClashes_RR','VdWClashes_MM',
|
||||
|
|
Loading…
Add table
Add a link
Reference in a new issue