SZMAP 1.3.0

August 2015

Update to SZMAP applications.

New Features

  • A new MKHetDict option -no_pka_adjustment can be used to prevent deleting or renaming ligand hydrogens which cause reduce to generate too many hydrogens.

Bug Fixes

  • Grids written out in .ccp4 format now contain scaling information to make them comparable to other grid formats.
  • MKHetDict verbose output now shows the correct input file name.

Other changes

  • Now checking for legal ranges on SZMAP options: -bounding_box -mask_cutoff -vdw_scale