Hi Oliver, unless these are neutron data, you could simply remove the hydrogen atoms from the model before model building. They would be regenerated on the next round of refinement. At least this is the philosophy of some refinement programs.
Cheers, Tim On Wed, May 27, 2015 at 04:16:38PM +0100, Oliver Clarke wrote: > Hi all, dragged refinement doesn't seem to work for structures with riding > hydrogens - see linked screen recording showing dragged refinement of the > same structure with and without hydrogens. > > https://www.dropbox.com/s/15xs8ylhrx98ljk/dragged_refinement_H_bug.mov?dl=0 > > Would it be possible to alter this behaviour at some point such that > hydrogens remain firmly attached during dragging, to remedy this? > > In the past I have got around this by just doing real space corrections in > the absence of any hydrogens and adding them back in before every cycle of > reciprocal space refinement, but this does not seem like the optimal way to > be doing things. > > Cheers, > Oliver. > -- -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A
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