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

[Jean Bréfort]

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