Unfortunately I am trying to do this with a prePot object. Is there an easy way to get similar output for the pre class?
On Mon, 23 Oct 2006 [email protected] wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hi Bryn-- > > > > > Can anyone help me with this error. I am not sure how to get restraint > > information out of xplor using the showRestraints call. > > > > Bryn > > > > Traceback (most recent call last): > > File "<string>", line 1, in ? > > File "keeper.py", line 207, in ? > > print c411.showRestraints(violated) > > NameError: name 'violated' is not defined > > PyInterp::command: error executing: >execfile('keeper.py')< > > > > assuming c411 represents an NOE, JCoupling or dipolar coupling potential > term, the best way to print out restraint info in recent versions of > Xplor-NIH would be: > > c411.setShowAllRestraints(True) > print c411.showViolations() > > regards-- > Charles > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.5 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> > > iD8DBQFFPNAYPK2zrJwS/lYRArI6AJsFufW2JWyPpNAGiNv1rOhhD50iiACfRklS > RcB395mYReDUaQgTMjhwyJA= > =Nnc1 > -----END PGP SIGNATURE----- > ========================================================== R. Bryn Fenwick Department of Biochemistry, [email protected] University of Cambridge, [email protected] 80 Tennis Court Road, Tel: +44 1223 766018 Old Addenbrookes Site, Fax: +44 1223 766002 Cambridge, CB2 1GA, UK. ==========================================================
