Rob Miller
Rob Miller
updated to incorporate #3882 @JoaoRodrigues I am still keen to get this in :-) I want/need the ability to write arbitrary PDB residues with control over chain ID and atom...
Some explanation on the image above and why it needs this PR: The image shows 3 pairs of PHE residues from PDB structure 3PBL (Human dopamine D3 receptor), selected as...
My reasons for wanting this merged: 1. It modularizes PDBIO.save(), which is usually considered a good thing, and factors out the residue generation in the same way the ATOM generation...
just `find . | grep -i`ing the source tree shows some functionality for SwissProt and UniProt
Sorry for the delay, and thank you - that is indeed the correct fix, will implement.
Submitted #3816 to fix in main branch now without waiting for #3774.
OK, the relevant error report/discussion is [black 2964](https://github.com/psf/black/issues/2964). Just upgrading to black 22.3.0 didn't work for me as noted above, this [comment](https://github.com/psf/black/issues/2964#issuecomment-1083591334) had the answer which is to do: pre-commit...
For the case as @riyaadazad describes: if a directory is called '2018_july_trip_to_spain', seeing the empty directory indicates that the user still needs to go into e.g. Shotwell and tag/annotate some...
Update for 1.84
CI issues see #4204