> I am using OpenBabel program to calculate the 166 bits MACCS fingerprint for > some coumponds and got a result with 256 bits in API after convert > hexadecimal to binary.
By default, the fingerprints are "folded" to certain bit lengths. http://open-babel.readthedocs.org/en/latest/FileFormats/Fingerprint_format.html Try: obabel [file] -O file.fpt -xfMACCS -xN166 This will give you 166 bits (or whatever you specify) ------------------------------------------------------------------------------ "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across 300+ browser/OS combos. Get unparalleled scalability from the best Selenium testing platform available Simple to use. Nothing to install. Get started now for free." http://p.sf.net/sfu/SauceLabs _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
