Please see http://www.poissonboltzmann.org/pdb2pqr/release-history
# These are notes for the current version of PDB2PQR
- NEW FEATURES
* Updated propka to version 3.0
* Added residue interaction energy extension.
* Added protein summary extension.
* Combined hbond and hbondwhatit into one extension (hbond) with new command line parameters. (No more hacking hbond.py)
* Combined rama, phi, psi into one extension (rama) with new command line parameters.
* Extensions may now add their own command line arguments. Extensions with their own command line arguments will be grouped separately.
* Improved interface for extensions.
* Added opal configuration file.
- BUG FIXES
* Cleaned up white space in several files and some pydev warnings.
* Creating print output no longer clears the chain id data from atoms in the data. (Affected resinter plugin)
* Removed possibility of one plug-in affecting the output of another.
* Fixed --protonation=new option for propka30.
* Improved time reporting for apbs jobs.
* Fixed opal runtime reporting.
* Fixed misspelled command line options that prevented the use of PEOEPB and TYL06.
* Fixed error handling when certain data files are missing.
* Fixed LDFLAGS environment variable not being used along with python specific linker flags to link Algorithms.o and _pMC_mult.so
* Fixed possible Attribute error when applying naming scheme.