Hi, I am new to openbabel. I came to know of open babel recently and want to use it for my academic work.
Here is my Query: I want to calculate tanimoto coefficient (similarity score) of two lipid molecules but could not find step-by-step procedure to do so in open babel documentation. What I have done so far: I converted .sdf files of two lipids into SMILES string and obtained fingerprints (FP2) of SMILES string. FP2 of one of the molecules looks like this - 00000000 01000000 00000000 00000400 00080000 00000000 00000000 00000000 00000000 00000080 00000000 40010000 00000000 00800000 00000000 00080008 00000000 00000000 01402000 00000001 00000000 10000010 03000000 00000010 00000000 00000000 00000000 00000000 00000000 00040000 00020000 00000000 Now, I would like to compare two such fingerprints (actually more than two) and calculate their similarity score. Can someone advice me how to do it ? Thanks in Advance Chak PS: I am new to openbabel and Linux. Till now, I used openbabel GUI in windows. Even though I have installed openbabel in my ubuntu, I have not used it. ------------------------------------------------------------------------------ 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
