Re: [Avogadro-devel] CJSON in Open Babel

2017-01-08 Thread Marcus D. Hanwell
On Sat, Jan 7, 2017 at 2:56 PM, Geoffrey Hutchison wrote: > As we continue to develop the workflow idea, one obvious help would be to > integrate CJSON into Open Babel. I'm willing to do some of the work, since > there's already other JSON formats (src/formats/json).

[Avogadro-devel] CJSON in Open Babel

2017-01-07 Thread Geoffrey Hutchison
Hi Marcus, As we continue to develop the workflow idea, one obvious help would be to integrate CJSON into Open Babel. I'm willing to do some of the work, since there's already other JSON formats (src/formats/json). I'm curious about multiple coordinate sets and/or conformers. Right now, there