Subject: Trouble with converting to UCSF format from Pipe
From: charles_stevens@ymail.com
Date: Dec 11, 2012

Next: 863


I am having trouble with importing two 3D spectra into sparky. when I open the processed (h(cco)nh & cc(co)nh) data in nmrDraw, the files look great, but after converting it to ucsf format using the following command:

xyz2pipe -in FT3/test%03d.ft3 -x ghc_co_nh.ft3
pipe2ucsf ghc_co_nh.ft3 ghc_co_nh.ucsf

the spectra in the output files are distorted. Peaks do not appear where they should when comparing the nmrDraw and Sparky side by side, and in the case of the cc(co)nh the peaks appear to be out of phase (negitave smear to the left, and positve smear to the right).

I was wondering what I should try to solve this problem.

Thanks!
-Charlie