Dear Peter,
i am planning to produce a new pdb2ins containing several improvements,
but until this is ready please continue to use the old shelxpro.
Best wishes, George
On 17.06.2013 16:57, Peter Moody wrote:
At the risk of (more) people pointing at me and laughing...
I used to use SHELXPRO to get my .ins files sorted for SHELX, but that
seems to have gone.
How is it done now?
I want to do a full-matrix refinement to get ESUs on some (specific)
atoms and as far as I can remember SHELXL is the best way to go.
Any advice gratefully received, if its RTFM, then a refernce/link to
th right page would be nice.
best wishes, Peter
--
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
