[Xplor-nih] for Marvin

[John Kuszewski]

On Dec 23, 2006, at 6:16 PM, Wenyong Tong wrote:

>
> Hi
>
> I ran the runMarvin for CVN, but I did not get the
> cvn_xplor_noes.tbl finally. Some of messages are as
> follows:
> TCL>readShiftAssignments \
> TCL>    -fileName "cvn_3dc_final.shiftAssignments" \
> TCL>    -pot $noe
> Error opening input file
> cvn_3dc_final.shiftAssignments

What are the other errors?  Something must have happened before this  
point to
create this error.

>
> Also I was wondering whether the Marvin can use for
> NOESY of small peptide.

Sure.  I have procedures to handle 2d, 3d, and  4d NOESYs, with  
various types
of isotopic labeling.  What kind of data do you have?

--JK