XPLOR-NIH 2.44 updates
The following Python module has been updated. Please download and
copy this file to the python subdirectory of the Xplor-NIH
refine: keepWaters now works within simulationTools.StructureLoop when
averageFitSel is not null. In the released version, the water
molecules would not be present in the output PDB files.
StructureLoop.run: now allow number of atoms to increase during
structLoopAction. This is needed for
waterRefineTools.refine when keepWaters=True.