{ xrefin-optimize-group-statement } END
is an xrefin statement. Action takes place as soon as the END
statement is issued.
xrefin-optimize-group-statement:==
B=selection
adds a selected group of
atoms to the database for B-factor refinement (default: none).
All atoms in the group
assume the same B-factor.
After the refinement has been carried out, the selections are
erased.
BFMIn=real
specifies the minimum B-factor allowed
(default: 2.0 Å).
DROP=real
specifies the initial expected drop in energy (
default: 10.0).
NSTEp=integer
is the number of conjugate
gradient steps ( default: 0).
Q=selection
adds a selected group of
atoms to the database for occupancy refinement (default: none).
All atoms in the group
assume the same occupancy.
After the refinement has been carried out, the selections are
erased. No constraints (e.g, ) are possible at present.