Thanks, Pavel, I had never noticed that "exclude_selection" option in the .eff file, or it would have been obvious why the ligand was excluded. exclude_selection="not all" seems to be working for me, with explicit definitions of ncs groups. Ed On 07/25/2017 11:39 PM, Pavel Afonine wrote:
Hi Ed,
try using
ncs_search.exclude_selection=None
or
ncs_search.exclude_selection="not all"
or
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.
Pavel
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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]