- Dear PIPERS,
Does anyone have experience about the nlinLS in NMRPipe suite? From
nlinLS manual page, the 2D demenstration data is supposed to be in
directory nlsdemo, but I could not find it even in the lastest
Any help will be highly appreciated.
- Dear Colleagues,
Hope the following is of interest ...
Many Cheerful Regards,
Automated Nonlinear Lineshape Fitting for 1D, 2D, 3D and Pseudo-3D Data
A new script "autoFit.tcl" is now provided with NMRPipe to help automate
the use of the "nlinLS" spectral fitting program. This autofit script
estimates all required fitting parameters, and also produces a simulated
spectrum and residual. The use of this script requires that the latest
version (retrieved 2/10/2001 or later) of NMRPipe be installed.
An example for fitting 1D data (in this case, actually a projection
from a digitized gel image, not NMR data) can be found in the file
"pub/gel.tar.Z". Note well that work is also in progress to provide
a better interactive interface for 1D data.
version of NMRPipe be installed.
An example of fitting 2D data (in this case, IPAP spectra) can be
found in the file "pub/ipap.tar.Z"
An example for automatic fitting of a 2D relaxation series is contained
in the file "pub/relax.tar.Z"
The automated script seems to work well in many cases. Note well that
the success of the analysis depends strongly on the quality of the
peak table. Be sure to delete noise peaks, insert unresolved peaks,
and to inspect and edit the CLUSTID values so that overlapping peaks all
have the same CLUSTID value.
- Dear Frank,
My old NMRPipe today tell me "NMRDraw Expiration Error,Aborting", when
I input "NMRDraw" in my RedHat Linux 6.2 Workstation.
How can I download the latest version of NMRPipe?
State Key Lab. of Bio-organic and Natural Products Chemistry
Shanghai Institute of Organic Chemistry
Chinese Academy of Sciences
354 Fenglin Rd., Shanghai 200032