[Xplor-nih] Getting the total number of dihedral angle restraints in xplor python interface

[Jurgen F. Doreleijers]

Hi all,

How can I get the total number of dihedral angle restraints in xplor python
interface?
I tried:

protocol.initDihedrals(file,useDefaults=0)
cdih=XplorPot('CDIH')
potList.append( cdih )
restraintCount = restraints.count("assi")
restraintCountInternal = cdih.numRestraints()
print "Read ",  restraintCountInternal, " out of ", restraintCount," CDIH
restraints from file:", file

Gives me:
Read  -1  out of  29  CDIH restraints from file: 1xxx_xplor_dihedral.tbl

In other words, the cdih object hasn't got the number of restraints
initialized as I would have expected from an example I saw in anneal.py for
NOEs. The dihedral restraints were actually read by xplor as I checked with
"print thre=0 dihe"

Cheers,
Jurgen

-- 
Jurgen F. Doreleijers, Ph.D.
BMRB, Univ. of Wisconsin-Madison, WI, USA
mailto:jurgenfd at gmail.com
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