[Xplor-nih] ambiguous distance restraint violations

[Charles at Schwieters.org]

-----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
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.6 (GNU/Linux)
Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/>

iD8DBQFHXXccPK2zrJwS/lYRAjxIAKCEx4gJKnAw6/m/wScNnRROv/qa7QCePGpR
s+XVIpZ8+lctwPkRtZD8reU=
=7ie/
-----END PGP SIGNATURE-----