Comments (3)
This is a (horrible) dependency graph as of 47ed03dd9b143bc094f30840a8d17818e831ba7c
The two import *
dependencies that are still causing problems are shown in red. If these are replaced with more selective imports, the test cases fail with errors indicating missing heavy atoms. If these are included as-is, the code works.
from pdb2pqr.
I think some of the packages may already be in the system cache. I wonder if the try/except example in https://stackoverflow.com/a/33547682 would work?
from pdb2pqr.
I can't find any more import *
in any of the Python files. I think we can close this one.
from pdb2pqr.
Related Issues (20)
- PDB2PQR generates misaligned residue names for GLU (and possibly others)
- Problems with Mn ion in enzyme HOT 1
- Possible race condition in main.run_propka() HOT 3
- New PDB2PQR release HOT 12
- tetrahedral hydrogen reconstruction issue
- Another no PQR file in outputs issue HOT 1
- Run pdb2pqr as python library HOT 1
- Update `setup.py` to force latest version of PROPKA
- Update ChangeLog with changes since last release
- Need to update PDB2PQR Python compatibility.
- Update copyright date to 2023
- hydrogen atoms with zero radius ?! HOT 1
- Fix broken PDB2PQR documentation
- Release PDB2PQR 3.6.1 HOT 1
- There are concatenated fields in PQR output HOT 1
- chelation sites
- Pending job start HOT 4
- naming inconsistency with CHARMM HOT 6
- Residues being renamed TER HOT 1
- producing pqr file for ligand only (not protein) - error message: ValueError: 'P' is not in list HOT 5
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