[ghemical-devel] Re: Ghemical and "Dummy Atoms"

[Tommi Hassinen]

On Tue, 15 Nov 2005, Geoffrey Hutchison wrote:

> I use Ghemical a lot when I'm developing and debugging Open Babel. One of the 
> new formats I added (PCModel) incorporates explicit lone-pair electron sites, 
> which translate as dummy atoms. But Ghemical currently doesn't know what to 
> do with dummy atoms -- it shows them as these brown spheres and it kills 
> geometry optimizations, energies, etc. ...
>
> Should I change the Ghemical output code for Open Babel to ignore dummy 
> atoms?

Yes, it is always OK to ignore the dummy atoms.

Regards,

 	Tommi