29 November 2009

Cor, TwirlyMol and Chemical Identifier Resolver

I heard about it from Carbon Based Curiousities, who provided a link to, Noel O'Blog who explains all.

"Markus Sitzmann of the NCI/CADD team has been busy. He has combined the Chemical Identifier Resolver with TwirlyMol to enable you to convert any chemical identifier to a 3D model that can you interact with in your webpage. I'm very excited about this as I think that people will find this very useful."


Noel O'Blog goes on to give detailed instructions as to how to use the script. I say, 'detailed'; the instructions are really simple, a case of cutting 'n' pasting with some modifications of identifiers. I produced the structure of the Cannabis Mimic below,





Again, letting Noel O'Nlog explain,

"Just put this in your webpage:

<div id="DIVNAME" height="200" width="200"></div>

<script src="http://cactus.nci.nih.gov/chemical/structure/
CHEMICAL_IDENTIFIER/twirl?div_id=DIVNAME"></script>

Replace DIVNAME with a unique name, and replace CHEMICAL_IDENTIFIER with any of the chemical identifiers accepted by the Chemical Structure Resolver; for example, a common name for a chemical, an InChI, or a SMILES string.
"

Well done all involved.

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