[ghemical-devel] Bug report and pt_BR Translation of Ghemical
Jean Bréfort
jean.brefort at normalesup.org
Thu Oct 2 16:40:14 EDT 2008
OK, found the issue: the numeric locale should be set to "C" in both
project::Import and project::Export.
Cheers,
Jean
Le jeudi 02 octobre 2008 à 21:18 +0200, Jean Bréfort a écrit :
> 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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>
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