Hello,
I am working with very ambiguous restraints. Vmd-Xpor correctly displays the
restraint as the satisfied one when the restraints are entered as:
assign (resid 139 and name Cd1) (resid 526 and name Cg2 or resid 726 and name
Cg2) 6.5 5.5 0.50
However, other restraints are much more ambiguous, in which case the restraint
is entered with the following syntax:
assign
( resid 236 and name CE1 )
( resid 136 and name CE1 )
5.5 3.5 0.50
OR ( resid 236 and name CE1 )
( resid 336 and name CE1 )
OR ( resid 236 and name CG )
( resid 136 and name CE1 )
OR ( resid 236 and name CG )
( resid 336 and name CE1 )
Xplor does not have any trouble with this syntax, however, in VMD, only the
first set of atoms is considered, resulting in many displayed violations.
It would be very helpful to visualize these highly ambiguous restraints. Is this
currently possible? I am using vmd-xplor 1.7.2 on Macbook pro with OS 10.6.8
Thanks in advance,
Loren
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