Re: [openbabel-scripting] How to make a molecule

[Geoffrey H. <ge...@ge...>]

On May 25, 2006, at 5:08 AM, Noel O'Boyle wrote:

> Given a set of atom coordinates and corresponding atomic numbers,  
> is the
> following function sufficient to create an OBMol suitable for  
> writing to
> a file as a PDB, for example?

Sure. If you look at the xyzformat code, that's pretty much what you  
get.

Cheers,
-Geoff