[ghemical-devel] Bug report and pt_BR Translation of Ghemical

[Jean Bréfort]

Made another test: saved to gpr, then transformed using babel. In that
case, I get the correct coordinates.

Regards,
Jean

Le jeudi 02 octobre 2008 à 21:11 +0200, Jean Bréfort a écrit :
> Le jeudi 02 octobre 2008 à 21:38 +0300, Tommi Hassinen a écrit :
> > Summary : no matter what I have tried, I haven't managed to duplicate this problem.
> > Now I need to have exact package versions + a procedure how to duplicate the error,
> > in order to study this further.
> > 
> > Regards,
> > Tommi
> 
> 
> I compiled ghemical svn with openbabel-2.2 support (debian version), and
> still have the same issue. Here is what I get when exporting a
> cyclohexane molecule (imported from gchempaint, then add hydrogens and
> geometry optimization), and exporting to xyz format:
> 18
> 
> C          0,00000       -0,00000       -0,00000
> C          0,00000        0,00000        0,00000
> C         -0,00000        0,00000       -0,00000
> C         -0,00000        0,00000        0,00000
> C         -0,00000       -0,00000       -0,00000
> C          0,00000       -0,00000        0,00000
> H          0,00000       -0,00000       -0,00000
> H          0,00000       -0,00000       -0,00000
> H          0,00000        0,00000       -0,00000
> H          0,00000        0,00000        0,00000
> H         -0,00000        0,00000       -0,00000
> H         -0,00000        0,00000        0,00000
> H         -0,00000        0,00000        0,00000
> H         -0,00000        0,00000        0,00000
> H         -0,00000       -0,00000       -0,00000
> H         -0,00000       -0,00000        0,00000
> H          0,00000       -0,00000       -0,00000
> H          0,00000       -0,00000        0,00000
> 
> Regards,
> Jean
> 
> 
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