Re: [Jmol-users] PDB Search and JME file note

[Otis R. <osr...@ch...>]

Bob,

Thank you for helping to put JME back into Jmol. I suspect you were also the catalyst to renew Peter's interest in this.

Did you catch my intent with the JME file note? It looks like you're loading molfiles. This does avoid a Resolver hit, but the SMILES --> JME Resolver connection loads JSME with a clean structure with stereochemistry, including E/Z if you set the keyword. See Draw button at:

http://chemagic.com/JSmolVMK.htm

Otis

--
Otis Rothenberger
ot...@ch...
http://chemagic.com




On Mar 25, 2013, at 9:41 AM, Robert Hanson wrote:

> Thanks VERY much for that, Otis.
> 
> Two unrelated blunders. Fixed now. 
> ___JmolVersion="13.1.14_dev24b"
> 
> http://chemapps.stolaf.edu/jmol/jsmol.zip
> 
> Bob
> 
> 
> 
> 
> On Mon, Mar 25, 2013 at 8:04 AM, Robert Hanson <ha...@st...> wrote:
> Oh,oh!
> 
> 
> 
> On Sun, Mar 24, 2013 at 8:59 PM, Otis Rothenberger <osr...@ch...> wrote:
> Bob,
> 
> The PDB keyword search appears to be broken at:
> 
> http://chemapps.stolaf.edu/jmol/jsmol/test2.htm
> 
> I also think 2D is broken at
> 
> http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm
> 
> Could these be related?
> 
> This reminds me that I wanted to send you a JME file note related to Resolver. Although it's not documented, Resolver returns a jme file from SMILES input:
> 
> http://cactus.nci.nih.gov/chemical/structure/CCCCCCC/file?format=jme
> 
> Otis
> 
> --
> Otis Rothenberger
> ot...@ch...
> http://chemagic.com
> 
> 
> 
> 
> 
> 
> 
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> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> St. Olaf College
> Northfield, MN
> 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
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> St. Olaf College
> Northfield, MN
> 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
> 
> ------------------------------------------------------------------------------
> Everyone hates slow websites. So do we.
> Make your web apps faster with AppDynamics
> Download AppDynamics Lite for free today:
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