[Dock-fans] Double bonds

James Foster (PG Research) j.r.foster at dundee.ac.uk
Thu Dec 15 15:52:29 PST 2016


I've tried using rigid and flexible docking to dock a molecule containing a cis c-c double bond. After running the dock the conformation of the bond turns into trans? Please do you know of any solution to correct this?

The University of Dundee is a registered Scottish Charity, No: SC015096
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://mailman.docking.org/pipermail/dock-fans/attachments/20161215/896eab68/attachment.html 

More information about the Dock-fans mailing list