Spectra Format Conversion from NMRPipe Data

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Spectra Format Conversion from NMRPipe Processed Data


Contents

NMRPipe to Sparky
Type the following command in the UNIX terminal
For a 2D dataset 'gnhsqc.ft2' (Routine Processing Procedure for 2D Experiment)
pipe2ucsf gnhsqc.ft2 gnhsqc.ucsf
For a 3D dataset (Routine Processing Procedure for 3D 15N and 13C-edited Experiments)
Use xyz2pipe to combine 2D planes into one single PIPE file (Go to the directory where the 3D planes are stored)
xyz2pipe -in test%03d.ft3 -x > 3D_HNCO.mat
Convert the single PIPE file to UCSF format
pipe2ucsf 3D_HNCO.mat 3D_HNCO.ucsf
Additional information can be found in Sparky Manual [1]
NMRPipe to CARA

NMRPipe to XEASY
NMRPipe to NMRViewJ
At the end of the processing script (e.g. ft2d.com or nmrproc.com), insert the following two lines:
For 2D dataset (Routine Processing Procedure for 2D Experiment)
nmrPipe -in gnhsqc.ft2 \
|pipe2xyz -nv -out filename.nv
For a 3D dataset (Routine Processing Procedure for 3D 15N and 13C-edited Experiments)
xyz2pipe -in lp/test%03d.ft3 -x \
|pipe2xyz -nv -out filename.nv
References
  1. T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco



Updated by Hsiau-Wei Lee, 2011
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