Spectra Format Conversion from NMRPipe Data: Difference between revisions
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::::pipe2ucsf 3D_HNCO.mat 3D_HNCO.ucsf | ::::pipe2ucsf 3D_HNCO.mat 3D_HNCO.ucsf | ||
:Additional information can be found in [http://www.cgl.ucsf.edu/home/sparky/manual/index.html Sparky Manual] | :Additional information can be found in [http://www.cgl.ucsf.edu/home/sparky/manual/index.html Sparky Manual] <ref>T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco </ref> | ||
===== NMRPipe to CARA ===== | ===== NMRPipe to CARA ===== | ||
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:::xyz2pipe -in lp/test%03d.ft3 -x \ | :::xyz2pipe -in lp/test%03d.ft3 -x \ | ||
:::|pipe2xyz -nv -out filename.nv | :::|pipe2xyz -nv -out filename.nv | ||
===== References ===== | |||
<reference/> | |||
Revision as of 20:27, 7 December 2009
Spectra Format Conversion from NMRPipe Processed Data
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 2D dataset (Routine Processing Procedure for 2D Experiment)
- 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
- For a 3D dataset (Routine Processing Procedure for 3D 15N and 13C-edited Experiments)
References
<reference/>
- ↑ T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco