PDB2PQR 1.7.1 (2011-08) — APBS-PDB2PQR 1.6 documentation

# PDB2PQR 1.7.1 (2011-08)

## New features

- Switched Opal service urls from sccne.wustl.edu to NBCR.
- Added more JMol controls for visualization, JMol code and applets provided by Bob Hanson.
- Changed default forcefield to PARSE in web interface.

## Bug fixes

- Fixed crash when opal returns an error.
- Fixed specific combinations of command-line arguments causing `pdb2pqr.py` to crash.
- Fixed opal job failing when filenames have spaces or dashs.
- Fixed gap in backbone causing irrationally placed hydrogens.
- Fixed crash when too many fixes are needed when setting termini.
- Corrected web and command line error handling in many cases.
- Fixed `--username` command line option.
- Fixed ambiguous user created forcefield and name handling. Now `--username` is required if `--userff` is used.
- Fixed `querystatus.py` not redirecting to generated error page.