alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
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Setting basename miss several result files. #77

Closed Benstime closed 2 years ago

Benstime commented 2 years ago

if you run "python run_acpype.py -i ws/ligand.mol2 -b ws/ligand"

alanwilter commented 2 years ago

Hmm... I see what you want to do but, no, -b ws/ligand won't create a folder output inside ws dir.

I'll see if it's worth to change -b option to take a dir path as well.

For the moment, to avoid this issue don't use '/' with -b.

Benstime commented 2 years ago

Thanks. I use python code to copy the "run_acpype.py" to dir where I run. It works!