°
Restraints
-
Enforce distances and dihedral angles
In addition to simply
linking atoms with a spring
, you can determine NMR structures using the same functions as XPLOR to
restrain distances
and
dihedral angles
individually or
all together via a restraint file
. The
violation energies
and
statistics
can be obtained using
various potential functions
and
parameters like distance averaging
. The restraints can be
listed
, selectively
shown
(satisfied restraints in green, violated ones in red),
styled
,
hidden
or
deleted
. Floating assignments
can also be analyzed
.
°
AddSpring
-
Link atoms with a spring
°
DelRest<Obj|All>
-
Delete restraints
°
HideRest<Atom|Res|Mol|Obj|All>
-
Hide restraints
°
LoadTbl
-
Load XPLOR distance and dihedral angle restraints
°
ListFloat<Obj|All>
-
List floating assignments
°
ListRest<Atom|Res|Mol|Obj|All>
-
List restraints and energies
°
RestEnergy<Obj|All>
-
Calculate restraint energies
°
RestViol<Obj|All>
-
Get restraint violation statistics
°
RestrainDis
-
Restrain distance
°
RestrainDih
-
Restrain dihedral angle
°
RestrainPar
-
Set/get restraining parameters
°
RestrainPot
-
Set/get restraining potential function
°
SaveTbl
-
Save XPLOR distance and dihedral angle restraints
°
ScaleRest<Atom|Res|Mol|Obj|All>
-
Scale restraints
°
ShowRest<Atom|Res|Mol|Obj|All>
-
Show restraints