Macs in Chemistry

Insanely great science

 

Opsin Extension

The Unilever Centre for Molecular Science Informatics have been at the forfront at developing tools for the creation and curation of molecular data. OSCAR (Open Source Chemistry Analysis Routines) is software for the semantic annotation of chemistry papers a key part of this is Opsin a name to chemical structure converter. There is now a web interface to the program available and the web services can be accessed by anyone. Whilst this is very useful in its own right the beauty of such services is that other can build tools that access them. There are a number Safari Extensions described on this site that access similar services and with the help of Matt I'm happy to anounce a new addition. The Safari Extension for Opsin (download) allows the user to highlight a chemical name in a web page and then control click affords a dropdown menu, click on "Display ... using Opsin" and a small window will open displaying the chemical structure. What is particularly nice is that in addition to providing the structure in png format the same web service also provides the chemical structure in SMILES, InChi and CML format. If you click one of the buttons and the bottom of the structure window the structure will be downloaded in the appropriate format. The web service can handle a wide range of organic molecules including peptides and also works for inorganic molecules. Organic Molecules Bromobenzene spiro[4.5]decane hex-1-yne 2,3-dihydropyridine 2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy}ethanol 2-(4-Isobutyl-phenyl)-propionic acid 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Peptides L-alanyl-L-glutaminyl-L-arginyl-O-phosphono-L-seryl-L-alanyl-L-proline Inorganic compounds aluminium trichloride mercury(II) chloride

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