goodafternooni have 485 target from binding database by 3d sdf format best
forcefield to get minimum energy is AM1 in semi empirical method are there
AM1 in the forcefield of openbabel?thanks
--
View this message in context:
http://forums.openbabel.org/how-to-minimize-molecular-structure-energy-by-AM1-forcefield-tp4659968.html
Sent from the openbabel-devel mailing list archive at Nabble.com.
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel
