- Updated PROPKA to version 3.0
- Added residue interaction
- Added protein summary
- Combined hbond and
hbondwhatit into one extension (hbond) with new command line parameters
- 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
- Added Opal configuration file.
- 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
- Removed possibility of one
plug-in affecting the output of another
- Fixed --protonation=new
option for propka30
- Improved time reporting for
- 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.