Hello Loren-- > > 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. >
VMD versions up to 1.7.2 did not support the ASSIgn ... OR syntax of Xplor-NIH NOE tables. However, version 1.8 will/does support it. I just decided to place it on the VMD-XPLOR site with the beta moniker. Please provide feedback, particularly if you have problems. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
