[ccp4bb] convert and direction cosines

2008-07-25 Thread Kristof Van Hecke
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

Re: [ccp4bb] convert and direction cosines

2008-07-25 Thread George M. Sheldrick
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