Hi Mark, if for isotropic ADP refinement you want "element H or element D or resname HOH or chain E or chain F or chain A or chain B" then I assume for anisotropic you want all the rest, that is "not (element H or element D or resname HOH or chain E or chain F or chain A or chain B)" which is basically everything else not selected for isotropic ADP refinement. Note, ADPs of atoms that were not selected for iso/anisotropic refinement will not be refined at all. So this is why it's good to specify what you want to refine as isotropic (or anisotropic) and repeat the same using "not" for anisotropic (isotropic), as shown in example above. Pavel On 10/16/13 1:42 PM, Dr. Mark Mayer wrote:

Hi,

I'm trying to do a mixed individual isotropic anisotropic refinement b factor refinement and can't get my atom selections to be accepted by phenix.refine.

For the atoms I want to do isotropic refinement I used

optional (element H or element D or resname HOH or chain E or chain F or chain A or chain B)

for the anisotropic selection I used

chain A and chain B and not (element H or element D or resname HOH or chain E or chain F or chain A resseq 5:11 or chain A resseq 66:72 or chain A resseq 117:138 or chain A resseq 152:184 or chain A resseq 196:210 or chain A resseq 249:251 or chain B resseq 3:6 or chain B resseq 66:72 or chain B resseq 166:210 or chain B resseq 249:251)

I've tried various combuinations, but so far all have given the error message: Selection string results in empty selection.

Thanks for your help

Mark