CDK is too Java-centric in my view, and I'll be the first to admit that Python is much too slow for cheminformatics.
My preference would be for a fast, clean, back-end cheminformatics library with a simple C API that could be exposed to and interporate with Python, Java, C, C++, SQL, and .NET. Several proprietary examples of this design exist, and they are all quite successful. We need an open-source equivalent! Cheers, Warren DeLano Scientific LLC > -----Original Message----- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf > Of Jerome Pansanel > Sent: Monday, November 20, 2006 9:08 AM > To: pymol-users@lists.sourceforge.net > Subject: Re: [PyMOL] chempy documentation > > Hi, > > Frowns is another Python-based chemical informatics library, > but is no more maintained. A great idea would be to initiate > such project. We could based the design on the CDK library > (http://cdk.sourceforge.net/). > > Comments or suggestions ? > > Cheers, > > Jerome Pansanel > > > Le lundi 20 novembre 2006 17:14, DeLano Scientific a écrit : > > Bgbg, > > > > The idea behind chempy was that it could eventually be > developed into > > a Python-based chemical informatics library. In practice, however, > > its capabilites and performace are quite limited and so it > mainly just > > exists for use by PyMOL. No, there is no documentation for chempy > > other than the code and its usage. > > > > Cheers, > > > > DeLano Scientific LLC > > Email Support Services > > > > > -----Original Message----- > > > From: pymol-users-boun...@lists.sourceforge.net > > > [mailto:pymol-users-boun...@lists.sourceforge.net] On > Behalf Of bgbg > > > bg > > > Sent: Monday, November 20, 2006 4:59 AM > > > To: pymol-users@lists.sourceforge.net > > > Subject: [PyMOL] chempy documentation > > > > > > Hello, all. > > > Is there any chempy documentation available? I've > searched the web > > > for a while, but couldn't find anything relevant. Do PyMol > > > subscribers have access to extra documentation? > > > > > > Thank you > > > > > > -------------------------------------------------------------- > > > ----------- > > > Take Surveys. Earn Cash. Influence the Future of IT Join > > > SourceForge.net's Techsay panel and you'll get the chance > to share > > > your opinions on IT & business topics through brief surveys - and > > > earn cash > > > http://www.techsay.com/default.php?page=join.php&p=sourceforge > > > &CID=DEVDEV > > > _______________________________________________ > > > PyMOL-users mailing list > > > PyMOL-users@lists.sourceforge.net > > > https://lists.sourceforge.net/lists/listinfo/pymol-users > > > > > ---------------------------------------------------------------------- > > --- Take Surveys. Earn Cash. Influence the Future of IT Join > > SourceForge.net's Techsay panel and you'll get the chance to share > > your opinions on IT & business topics through brief surveys > - and earn > > cash > > > http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEV > > DEV _______________________________________________ > > PyMOL-users mailing list > > PyMOL-users@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/pymol-users > > -------------------------------------------------------------- > ----------- > Take Surveys. Earn Cash. Influence the Future of IT Join > SourceForge.net's Techsay panel and you'll get the chance to > share your opinions on IT & business topics through brief > surveys - and earn cash > http://www.techsay.com/default.php?page=join.php&p=sourceforge &CID=DEVDEV > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users >
