cis peptides

Lothar Esser esser at CHOP.SWMED.EDU
Thu Jul 30 11:47:17 EST 1998


On 30 Jul 1998, Tristan J. Fiedler M.Sc. wrote:

> light on refining a non-proline cis peptide bond.
> 
> 3. use the following *alone* :
> 
> dihe (name ca and resid <??>) ( name C and resid <??> )
> ( name N and resid <??+1>) ( name CA and resid <??+1> ) 1250.0 1 180.0
> end
> 
> Use the actual residue numbers for <??> and <??+1>
> 

   Option 3 is the preferred solution. It is being used in CNS and works
 very well.


   Lothar Esser

------------------------------------------------------------------
Dr. Lothar Esser
Howard Hughes Medical Institute 
5323 Harry Hines Blvd.
Dallas Texas 75235-9050
E-mail : esser at chop.swmed.edu
------------------------------------------------------------------




More information about the X-plor mailing list