[Xplor-nih] for Marvin
Wenyong Tong
wenyong_tong at yahoo.com
Mon Jan 1 19:04:17 EST 2007
Hi
I am going to run Marvin again. Thanks.
I have 2-D NOESY and ROESY of small cyclic peptides,
but I use sparky for assignment.
Happy New Year to every XPLOR-NIH users.
wy
--- John Kuszewski <johnk at mail.nih.gov> wrote:
>
> 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
>
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>
Sincerely yours
Mr. Wenyong Tong
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