Comments (2)
kmonson
commented on June 19, 2024
Changes will need to be made to runPDB2PQR to make the keyword args consistent with the option name.
Both the OPAL and non OPAL code paths will need to be updated in main_cgi.py especially in the WebOptions class.
When the next release with this change we'll need to work with Nadya to setup testing on OPAL and make sure the OPAL stuff works correctly.
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sobolevnrm
commented on June 19, 2024
This was fixed a long time ago.
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Related Issues (20)
- 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
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- 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
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- 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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