What steps will reproduce the problem?
1. Look at violation report at:
http://nmr.cmbi.ru.nl/NRG-CING//data/y7/1y7n/1y7n.cing/CING_1y7n/HTML/Molecule/A
/ARG23
The threshold for dihedral angle is listed as 0.3 A but should be in degrees.
---
DihRestraint
id dihedral lower upper actual violations Max >0.3A Critique
87 ARG23.PSI -53.0 -13.0 -15.4+-0.0 0.7+-0.7 1.9 0
---
Easy solution: just mention it's over the threshold.
Original issue reported on code.google.com by jurge...@gmail.com on 30 Mar 2009 at 12:08
Original issue reported on code.google.com by
jurge...@gmail.com
on 30 Mar 2009 at 12:08