Comments (3)
sobolevnrm
commented on June 16, 2024
I'm happy to take the blame for this; I intentionally messed it up when removing obsolete documentation. @intendo -- do you have time to fix this? Thank you!
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sobolevnrm
commented on June 16, 2024
This should be fixed with the new scons-less version of PDB2PQR.
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intendo
commented on June 16, 2024
@mathog, the newest instructions for getting pdb2pqr are at https://pdb2pqr.readthedocs.io/en/latest/getting.html
The pip/pip3 install of pdb2pqr should make thinks much easier.
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Related Issues (20)
- Replace XML-format data files with YAML
- Too far hydrogen generated from "charmmgui corrected" pdb? HOT 3
- ValueError: 'P' is not in list HOT 2
- update docutils please?
- pdb2pqr modifies the chain names HOT 4
- Caculating electrrostatic potential over distance HOT 4
- inputget error on alphafold structures HOT 2
- Error in ligand processing HOT 2
- Release new version
- Update pkg_resources HOT 1
- Generate tests for amino acid naming HOT 1
- Non-integer residue charge with PEOEPB
- Upgrade Sphinx packages
- Error to process neutral Cter of ASN HOT 2
- What to do when I have multiple occupancies?
- Using pKa-ANI to compute titration states at a given pH? HOT 2
- pdb2pqr does not remove atoms as expected
- Pending Job Start HOT 6
- Ligand amide bond type not HOT 1
- Getting CRITICAL:Found gap in biomolecule structure for atom
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