SZMAP 1.3.0

August 2015

Update to SZMAP applications.

New Features

• A new chapter_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.

• chapter_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