Tuesday, 14 October 2008

Look, Cinfony no longer logo-less

Coming up with a name for a software project is pretty hard. For weeks I meditated on a remote peak trying to think of a name that encompassed the entirety of my vision for a cheminformatics toolkit. Well, that didn't work out so I just called it cinfony.

However, when it comes to a logo, it's basically a question of what's on the web that I can legally cannabalise and bung a benzene ring on top of. The result is displayed above. Not too bad, if I do say so myself, although most of the credit goes to Jean Victor Balin, OpenClipArt.org and Inkscape.


Gilbert said...

A nice logo and a good match...
BTW, do you have any further plans for Cinfony ?

baoilleach said...

Well, I wanted to get it to a certain level of quality first, regarding documentation and bugs and so on....

But yes, I do have plans, which await the arrival of broadband at home :-) Integration of OSCAR (IUPAC name to structure), OSRA (image to structure) and some of Rajarshi's web services (e.g. common name to structure) would be nice. Have you any other ideas?

Gilbert said...

Many ideas floating, for example:
- integration of InChIlib
(as pybel seems not to support InChIKeys, does it ?)
- integration of external descriptor engines (mold2, CDL, others ?)
- unified interface to fingerprints of pybel/RDKit together with other molecular vectors (e.g. Schneiders CATS, Benders MOLPRINT, Ballester-Mitchell USR)
- link to R (PyChem ?) for QSAR/QSPR tasks
- link to PyMol (Yasara, PMV, ...) for 3D visualization of small molecules
- molecular spreadsheet (which ?) for result presentation

It's may be a bit early for a christmas wish list, but imagine what kind of tool one would get without bothering about the details to implement subprocesses, RPy etc.