I've seen this happening to water molecules as well (in a somewhat
unpredictable fashion). In the latest refmac versions, you can try
harmonic restraints, although these will only slow down the atom drift,
as the target position is updated every cycle.
Perhaps you can use distance restraints agai
I've seen this happening to water molecules as well (in a somewhat
unpredictable fashion). In the latest refmac versions, you can try
harmonic restraints, although these will only slow down the atom drift,
as the target position is updated every cycle.
Perhaps you can use distance restraints aga
Good to know, thanks. I was actually wondering about this recently.
On Sun, Jan 1, 2012 at 1:14 PM, Dima Klenchin wrote:
> I've seen this happening to water molecules as well (in a somewhat
>> unpredictable fashion). In the latest refmac versions, you can try
>> harmonic restraints, although
On Sun, 2012-01-01 at 12:14 -0600, Dima Klenchin wrote:
> With Garib's help, I have forced the atom into its position by using
> external distance restrains of zero length against the same
> symmetry-related atom. The cause is unclear because the same program
> handles special positions in anoth
Dear Developers,
it seems to me that at least Refmac 5.6.0117 does not report the actual
lowest resolution used in refinement, but instead the lowest resolution of
the hkl index range generated by the default cif import script instead.
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION
