WinMprof has restraints for distance, angle, and same distance, whereby two
distances are restrained to be the same unspecified value....very useful
for imposing on a molecule a local symmetry when this is not done by the
space group.
Andy
At 19:21 26 10 00 +0100, you wrote:
>PS: A few queries:
>
>What are the restraint options available in the
>various Rietveld programs? GSAS seems to have
>the option for bond-length - bond-angle - planar
>and torsion angle restraints.
>Most other Rietveld programs with restrain options
>seem limited to just bond-length restraints?
>
>My impression is that bond-angle and planar restraints
>are also very useful in keeping a refinement physically
>meaningful(?)
>
>Are there any Rietveld programs out there that can
>insert "riding" hydrogen restraints for correct
>handling of placed hydrogens during the refinement?
>
>--
>Lachlan M. D. Cranswick
>
>Collaborative Computational Project No 14 (CCP14)
> for Single Crystal and Powder Diffraction
>Daresbury Laboratory, Warrington, WA4 4AD U.K
>Tel: +44-1925-603703 Fax: +44-1925-603124
>E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14
> http://www.ccp14.ac.uk
