[OpenBabel-Devel] Aligning

2012-02-26 Thread Noel O'Boyle
Hi Chris, I've been looking at the opalign which I really like. There's one issue remaining which I can't quite decide how to handle. Basically, if you use --align -s "substructure color" -O myfile.svg and your input structure is 2D everything is fine. However, if your input structure is 3D, it d

Re: [OpenBabel-Devel] Aligning

2012-02-27 Thread Chris Morley
On 26/02/2012 16:19, Noel O'Boyle wrote: > I've been looking at the opalign which I really like. There's one > issue remaining which I can't quite decide how to handle. > > Basically, if you use --align -s "substructure color" -O myfile.svg > and your input structure is 2D everything is fine. Howev

Re: [OpenBabel-Devel] Aligning

2012-02-28 Thread Noel O'Boyle
n 27 February 2012 09:48, Chris Morley wrote: > On 26/02/2012 16:19, Noel O'Boyle wrote: >> >> I've been looking at the opalign which I really like. There's one >> issue remaining which I can't quite decide how to handle. >> >> Basically, if you use --align -s "substructure color" -O myfile.svg >>