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 <https://cactus.nci.nih.gov/blog/?p=68>
There are many more formats than the basic documentation indicates.
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.org
> On Dec 8, 2016, at 9:19 AM, Robert Hanson <[email protected]> wrote:
>
> I'll leave that adaptation to you, Henry. :)
>
> On Thu, Dec 8, 2016 at 8:07 AM, Rzepa, Henry S <[email protected]
> <mailto:[email protected]>> wrote:
> A complete chemical information course in a single page!
>
>
>
> https://chemapps.stolaf.edu/jmol/jsmol/hackamol.htm
> <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) structured formats?
>
>
>
> From: Robert Hanson <[email protected] <mailto:[email protected]>>
> Reply-To: "[email protected]
> <mailto:[email protected]>" <[email protected]
> <mailto:[email protected]>>
> Date: Thursday, 8 December 2016 at 14:02
> To: "[email protected]
> <mailto:[email protected]>" <[email protected]
> <mailto:[email protected]>>
> Subject: Re: [Jmol-users] Hack-a-mol
>
>
>
> done!
>
>
>
> On Thu, Dec 8, 2016 at 3:04 AM, Rzepa, Henry S <[email protected]
> <mailto:[email protected]>> wrote:
>
> A great teaching tool Bob.
>
>
>
> Would be good to have some InChI string and key stuff added, since this is
> also ubiquitous now!
>
> Lecture XXX, Monday, February 5, 1900
>
>
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>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
> ------------------------------------------------------------------------------
> 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 Colfax.
> Order your platform
> today.http://sdm.link/xeonphi_______________________________________________
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With one year of Intel Parallel Studio XE.
Training and support from Colfax.
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