Hello,
It looks like some of the atoms were collinear, which caused that error.
I've (hopefully) protected against that now in that function but I wonder
if something else will crop up related to this.
Wayne
On Mon, 29 Nov 2010, Vitaliy wrote:
> Hello,
>
> I am getting this error when I select a structure in Structure:Restraints and Violations popup and Struc Value column remains empty :
> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/home/vitaliy/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__
> return self.func(*args)
> File "/home/vitaliy/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 495, in callit
> func(*args)
> File "/home/vitaliy/ccpnmr/ccpnmr2.2/python/ccpnmr/analysis/popups/BrowseConstraints.py", line 1083, in updateRestraints
> getAtomSetsDihedral(atomSets, struct)
> File "/home/vitaliy/ccpnmr/ccpnmr2.2/python/ccpnmr/analysis/core/StructureBasic.py", line 657, in getAtomSetsDihedral
> angle = calcTorsionAngleRadians(coords[0],coords[1],coords[2],coords[3])
> File "/home/vitaliy/ccpnmr/ccpnmr2.2/python/ccp/general/Geometry.py", line 113, in calcTorsionAngleRadians
> ang = d12 / math.sqrt(d11*d22)
> ZeroDivisionError: float division
>
> Also, it seems I can not add the constraints from a second CCPN Constraint Set in Haddock popup. If I move the same constraints in the first CCPN Constraint Set they are added correctly to the list of restraints for the current run and column CCPN List shows the name of added constraints.
>
> Thank you for your help,
> Vitaliy
>
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