[Dock-fans] Amide Planarity

Scott Brozell sbrozell at rci.rutgers.edu
Mon Jul 24 11:59:38 PDT 2017


Hi,

The feature designed for this, Manual Specification of Non-rotatable Bonds,
is still on the future work list; we shall discuss this in the next
developers' meeting.  For details see
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2007-April/000982.html

scott

On Sat, Jul 22, 2017 at 10:46:00PM +0000, James Foster (PG Research) wrote:
> 
> I recently tried to dock a molecule containing an amide and noticed it looked wrong. Does anyone know a way of conserving the planarity of amides?
> 


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