[ghemical-devel] Exporting from GChemPaint to Ghemical

[Jean Bréfort]

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Le mer 30/06/2004 =C3=A0 13:09, Tommi Hassinen a =C3=A9crit :
> Hi,
>=20
> forgot to mention, that if in GChemPaint the structure is drawn using bon=
d
> 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 =C3=85 =3D 0.1 nm. So a first guess cou=
ld be
> that atom being "upper" means +0.1 change in Z and atom being "lower"
> means -0.1 change in Z.
>=20
> Regards,
>=20
> 	Tommi

It's exactly what I had in mind. However, it might fail with some
complex polycyclic compounds. More on that in the next development
version in september.

Thanks,

Jean

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