Hi Charles, could you clarify with a python interface-safe example? i.e. do you mean: assign (resid 14 and name O) (resid 2 and name HN) 1.00 1.00 1.00 OR (resid 15 and name HN) (resid 2 and name O) OR ... etc
or is it ok to have fields after the OR, as long as it begins a newline "OR (resid 15 and name HN) (resid 2 and name O) " Thanks, - mark On Mon, Dec 10, 2007 at 12:27:56PM -0500, Charles at Schwieters.org wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Jakob-- > > > I am testing a refinement protocol using ambiguous distance restraints > > editing the "~/eginput/gb1_rdc/refine.py" xplor-nih python script > > template. > > Most of my ambigous distance restraints contain the OR syntax (here > > ambiguous hydrogen bonds): > > ------------------------------- > > assign (resid 14 and name O) (resid 2 and name HN) 1.00 1.00 1.00 OR > > (resid 15 and name HN) (resid 2 and name O) OR > > (resid 14 and name O) (resid 3 and name HN) OR > > (resid 15 and name HN) (resid 3 and name O) OR > > Assuming your using version 2.18, I believe the Python potential > requires these ORs to be on new lines. If this is a significant > restriction, it should be straightforward to allow the syntax you're > using. Anyone have thoughts on this? > > best regards-- > Charles
