Macs in Chemistry

Insanely Great Science

Several ways of scripting Name to Structure


Too often I come across datasets that Chemical names or identifiers but no actual molecular structure, recently Dan at Dotmatics suggested I look at OPSIN. There are also several web services for converting names to structure and I've highlighted a couple of options here and described three scripts that allow them to be used from within Vortex.


There are many more scripts on the Hints and Tutorials Page.

blog comments powered by Disqus