SHELXL may be used to refine both small and macromolecular structures
against X-ray or neutron diffraction data, including non-merohedral
twins. A new version 2016/6 of SHELXL may now be downloaded from the
SHELX server. It has been well tested by about 20 volunteers to whom I
am very grateful. A new version of Anna Luebben's program PDB2INS is
also available there (for 64 bit systems only). PDB2INS makes the
preparation of the /.ins/ and /.hkl /files to run macromolecular SHELXL
refinements much easier. For most structures deposited in the PDB since
2008 these two files can be generated automatically and no changes are
needed to run SHELXL.
George
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582