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NMRPipe的用户，难道不去看Manual？
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看看下面的网页好了 0 r- |' f& d5 G, b+ Y9 Y+ P
% a8 U- k0 C9 {8 vhttp://spin.niddk.nih.gov/bax/software/NMRPipe/doc2new/#How to fit pseudo 3D spectra % J( C! K- _" q/ A4 \( n2 B
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CHAPTER 7. HOW TO FIT PSEUDO 3D SPECTRA
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- r4 M; T, N5 b- w* t! b1. Use proc.com to convert and process the 2D series. # x$ |8 R+ z/ I2 C- T) o- C7 M) y2 \
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2. Use nmrDraw to check phase corrections of the 1st spectrum in the series (i.e., spectrum with the smallest tau). Reprocess data with proc.com. 1 c k8 B3 W& f& @3 \5 b( x( i
) B! ^5 y$ O- I' \$ X3. Use nmrDraw to pick the peaks in the 1st 2D spectrum and save the peak table as relax.master.tab (already provided as an example). Be sure to delete noise peaks, to insert unresolved peaks, and to inspect and edit the CLUSTID values so that all overlapping peaks within the same cluster have the same CLUSTID value. Optionally, record assignment labels in the ASS variable of each peak. Note well that the success of the analysis is strongly dependent of the quality of the peak table. / B0 c3 N* g1 i+ o! j4 s: Z
2 K/ c& D: Y) ?% i, c0 j* D4 v R) P4. Use fit.com (uses autofit.tcl) to fit evolution curves to the pseudo-3D data.
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5. User can edit the model.com script (uses modelExp.tcl) to create commands which fit each evolution curve, either using nlin.tab (the result of the lineshape fitting program) or aux.tab (the result of the seriesTab program). The script produces output tables and postscript plots of each fitted evolution curve (this requires plotting program gnuplot). + O# `# A2 c) ?0 }' ~, P
; N8 h9 E: k- ~) Q[此贴子已经被作者于2008-8-19 14:57:01编辑过] + Y" O% L3 M; @# G1 G" R& x( y
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发表于 2008-8-19 10:10:52
