* new "--chains" flag to enable detection of interactions between protein chains by PhiCMS and snbolz * update setup.py, attempt to fix and install broken python openbabel bindings 3.1.1.1 * update Dockerfile
2.3.1
* fixes in interaction detection with peptide ligands by kalinni in 153 * fix in hydrogen bond acceptor identification by kalinni in 151 * fixes in waterbridge detection and filtering by kalinni in 152 * fix NumPy DeprecationWarning when using numpy.uint32 with negative numbers by QY0831 in 150
2.3.0
* fixes an issue that caused encoding errors to be thrown * salt bridge interaction improved * minor bugs fixed
2.2.2
* fixes an issue that caused encoding errors to be thrown
2.2.1
* updates citation information to latest paper: https://doi.org/10.1093/nar/gkab294
2.2.0
* new minor release * increased detail level of report (individual atoms on protein side) * improved handling of multi-model structures * minor bug fixes and code optimizations