Re: [OpenBabel-Devel] Confab

2013-07-11 Thread Noel O'Boyle
Sorry for the delay - I've reverted the change to IsSetupNeeded and merged it all to trunk. (And in future I'll make branches in a forked repo rather than one at the main repo.) On the P.S., I've never been a big fan of comparison articles - but we definitely need a doc chapter on this. And on

Re: [OpenBabel-Devel] Confab

2013-07-11 Thread Geoffrey Hutchison
On the P.S., I've never been a big fan of comparison articles - but we definitely need a doc chapter on this. If someone can point me at a data set and/or scripts to help score, I can certainly throw the CPU resources to provide numbers towards the docs. And on that note, do you remember