Re: [Open Babel] Multiple 2D drawings from 3D-zmatrix

2010-06-26 Thread Geoffrey Hutchison
> I have about 50 MOPAC Z-matrix files for which I need 2d > representations for publication. Here's one easy way -- without needing to install anything else. I'm assuming you can use a Linux box with bash, or something similar. I use "curl" but "wget" can also work here with slightly different

[Open Babel] Multiple 2D drawings from 3D-zmatrix

2010-06-26 Thread John McKelvey
Hello.. I have about 50 MOPAC Z-matrix files for which I need 2d representations for publication. I would like to have only the heavy atoms rendered + any H's attached to hetero atoms. As the structures are dyes it would also be very helpful if resonance-structure/kekule configuration be include