[phenixbb] Is it possible to restrain Cartesian NCS for ligands?

Pavel Afonine pafonine at lbl.gov
Tue Jul 25 20:39:36 PDT 2017

Hi Ed,

try using



ncs_search.exclude_selection="not all"


ncs_search.exclude_selection="not ((chain A and resseq 1) or (chain B 
and resseq 1))"

Note, by default it is:

"not ((chain A and resseq 1) or (chain B and resseq 1))"

this is why it excludes your ligands.


On 7/25/17 20:23, Edward A. Berry wrote:
> Is it possible to restrain cartesian NCS for ligands in phenix.refine?
> I included a ligand in an paired ncs-group and it seems to be omitted 
> from the
> listing of those groups in the log file.
> When I made an ncs_group including only ligands, it halted complaining
> of empty selection.
> Ed
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