-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 I've updated the pharmacophore code to support angle constraints. So at this point we have support for distance and angle constraints. See http://cheminfo.informatics.indiana.edu/~rguha/code/java/#pcore for a self-contained tool for pharmacophore searching and an example pharmacophore definition file.
Dihedral constraints should be coming soon - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Brain fried -- Core dumped -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkhQPrcACgkQZqGSLFHnnoSqLgCfZbzI4igFBlaeYOcjUXAl5rWi bLIAoOJdDIXATPxt3lFw+8DM6jkBGQhw =/IlK -----END PGP SIGNATURE----- ------------------------------------------------------------------------- Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open Source. http://sourceforge.net/services/buy/index.php _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
