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PiRSquared17 / cing

Automatically exported from code.google.com/p/cing
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Identical upper and lower bound of dihedral restraints #182

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
Entry 13dz has indetical upper and lower bound for dihedral restraint.

See http://nmr.cmbi.ru.nl/NRG-
CING//data/d3/1d3z/1d3z.cing/CING_1d3z/HTML/Molecule/A/LEU43/index.html#_top

Probably somewhere in the conversion is stiil a bug.

Original issue reported on code.google.com by g.vuis...@gmail.com on 29 Jul 2009 at 1:17

GoogleCodeExporter commented 9 years ago 
Original data eg.

 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )     1 -137.80  0.00   2

So the conversion went fine. This is perfectly normal with xplor

Original comment by jurge...@gmail.com on 29 Jul 2009 at 1:54