Dear All, Thank you Chris for your help. It works well after removing $$$$.
I am curious to know what goes behind the open babel program. In particular, I want to understand two things 1. How FP2 is generated and what each digit in FP2 stands for. 2. How two FP2's are compared and Tanimoto score is calculated. I found some references for Tanimoto scoring. But, I couldn't find references for FP2 (except for a brief description in open babel docs - "http://openbabel.org/docs/dev/Fingerprints/fingerprints.html#fingerprint-format-details";) I would be great full if anyone could provide me references for understanding fingerprints (especially FP2, but also others) Thanks in Advance Chakravarthy ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
