Error, crash when trying to Accumulate Scores

[nbayhi]

Hello,

When I try to accumulate scores between two selections, PyContact is quitting with a big error (multiple broken pipes, etc - text attached).

I'm loading a .psf and a short test dcd; the system is ~2100 amino acids, but I'm asking it to calculate between segid B (~1000AA) and segid E (~25AA). I'm running it in an anaconda environmet on an M2 MacBook Air running Ventura 13.1.

I'm excited to use this tool if possible -- is there something I could be doing differently?

pycontact_error.txt

[maxscheurer]

Hi,
sorry you're having problems with the tool... I'm no longer actively developing PyContact, but we might be able to fix this issue. Looks like in newer versions of pyqt, the argument type of progressBar.setValue(value) is checked. PyContact currently passes a float but an int is required. Let me try to reproduce this locally.

[maxscheurer]

@nbayhi Could you try with the most recent version from the develop branch? (Can be installed with pip install git+https://github.com/maxscheurer/pycontact@develop) I incorporated some fixes, so it should work for you now I hope.

[nbayhi]

That worked!

The pip install you mentioned did not work for me, but by downloading the .zip file and running through
python setup.py build_ext -i
python setup.py install
and then ran python setup.py install a second time

it worked! Thank you for such a prompt reply, and for making this great tool!