If you are desparate, XPREP can apply symmetry transformations to direction cosines (assuming that they are defined according to the (1976) SHELX convention, i.e. relative to the crystal reciprocal axes).
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Fri, 25 Jul 2008, Kristof Van Hecke wrote: > Dear, > > I was wondering if it is possible to preserve the direction cosines when > converting an .mtz file (without scaling) to an .hkl file using the CCP4 > program 'convert'..? > (or perhaps another program..?) > > Many thanks > > Kristof > > > -------------------------------------- > Kristof Van Hecke, PhD > Biomoleculaire Architectuur > Celestijnenlaan 200 F > B-3001 Heverlee (Leuven) > Tel: +32(0)16327477 > -------------------------------------- > > > > > > Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm >
