[ghemical-devel] Exporting from GChemPaint to Ghemical

Tommi Hassinen thassine@messi.uku.fi
Wed, 30 Jun 2004 14:09:54 +0300 (WET)


Hi,

forgot to mention, that if in GChemPaint the structure is drawn using bond
symbols that indicate stereochemistry (I mean the "bond pointing upwards"
and "bond pointing downwards" symbols) you could try modifying the
Z-coordinates of the corresponding atoms accordingly ; say the
Z-coordinate of the atom which is "upper" is added a bit and Z-coordinate
of the atom which is "lower" is subtracted a bit. The unit of distance
used in ghemical is nanometer ; 1 =C5 =3D 0.1 nm. So a first guess could be
that atom being "upper" means +0.1 change in Z and atom being "lower"
means -0.1 change in Z.

Regards,

=09Tommi