Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Luciano Abriata
Not only fun, but possible with many applications as well ! I do not follow how the whole thing works from the webpage source code. It would be cool to have comments in there. Luciano De: Robert Hanson Para: "jmol-users@lists.sourceforge.net"

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Rzepa, Henry S
A complete chemical information course in a single page! https://chemapps.stolaf.edu/jmol/jsmol/hackamol.htm On a roll now; any chance of an (openBabel?) conversion to eg CML to illustrate an example of a modern structured XML representation, as well as the legacy (end-of-line)

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Robert Hanson
I'll leave that adaptation to you, Henry. :) On Thu, Dec 8, 2016 at 8:07 AM, Rzepa, Henry S wrote: > A complete chemical information course in a single page! > > > > https://chemapps.stolaf.edu/jmol/jsmol/hackamol.htm > > > > > > On a roll now; any chance of an

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Robert Hanson
done - I have to stop now! ​ -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Robert Hanson
done! On Thu, Dec 8, 2016 at 3:04 AM, Rzepa, Henry S wrote: > A great teaching tool Bob. > > > > Would be good to have some InChI string and key stuff added, since this > is also ubiquitous now! > > > > > > *From: *Robert Hanson > *Reply-To:

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Latévi Max LAWSON DAKU
Dear Bob, This is very nice!! :) Best, Max On 08. 12. 16 06:53, Robert Hanson wrote: > This is kind of fun... > > https://chemapps.stolaf.edu/jmol/jsmol/hackamol.htm > > > -- > Robert M. Hanson > Larson-Anderson Professor of Chemistry > St. Olaf College > Northfield, MN >

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Rzepa, Henry S
A great teaching tool Bob. Would be good to have some InChI string and key stuff added, since this is also ubiquitous now! From: Robert Hanson Reply-To: "jmol-users@lists.sourceforge.net" Date: Thursday, 8 December 2016 at 05:53 To:

Re: [Jmol-users] Hack-a-mol

2016-12-08 Thread Otis Rothenberger
Very nice (and fun) Bob! Henry, I'm not sure if you know about this Resolver page or if it has what you want, but Markus Sitzman's old Blog has a list of all of the file formats that Resolver can generate: https://cactus.nci.nih.gov/blog/?p=68 There are