[Open Babel] modify molecules through internal coordinates

2017-07-18 Thread Xianghai Sheng
Hi, I'm trying to edit a molecule through internal coordinates like you would do in a graphic editor. For example, I would like to change the bond length between atom A and atom B, and moving the connecting groups accordingly. Is this possible in python? or possible at all? Thank you, Xianghai --

[Open Babel] Website down?

2017-07-18 Thread Xianghai Sheng
Hi everyone, I can't visit openbabel.org. It says site not found. Is it just me? Xianghai -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot_

Re: [Open Babel] Website down?

2017-07-18 Thread Geoffrey Hutchison
> I can't visit openbabel.org. It says site not found. Is it just me? My apologies. There was a server migration with my web host and the “site not found” page was apparently enough to convince scripts that the site was up. Should be all set now. -Geoff