Closed ostannick closed 3 years ago
I tried this on my own Windows VM, and I was able to reproduce your error, but only when giving it the path. It works fine for me if the input file is in the same directory, but. It has something to do with the logging module messing up the path on Windows is seems. I'll see if I can come up with a fix, but for now I would recommend running denss.all.py in the same directory as the .out file you're using.
I am trying to do create an ensemble of 20 structures for averaging using
denss.all.py
, but when I run it, I get the following issue:λ py build\scripts-3.9\denss.all.py -f data/APS_June/cahd.out
I have managed to run denss.py by itself just fine and load up the volumes in PyMol. Cool stuff. Very interested to try ensemble averaging but it doesn't seem to work on windows.
Best