PDB2PQR 1.7.1a (2011-09-13)¶
New features¶
- Added force field example.
Bug fixes¶
- Fixed ligand command line option.
- Fixed capitalization of force field in PQR header.
- Fixed error handling for opal errors.
- Fixed web logging error when using ligand files, user force fields, and name files.
- Fixed extension template in documentation.
- Fixed 1a1p example README to reflect command line changes.