Welcome: an Introduction to this Site
NMRPipe: a Comprehensive Software System for Biomolecular NMR
Special Applications: NMR Drug Screening, Automation, and so on
Dipolar Couplings, Chemical Shifts, and Protein Structure
Miscellaneous

Frank's CV, Recent Slides, and Thesis

 

 

 

  Frank Delaglio, Ph.D.

  Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA


  Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com



Programs of the NMRPipe System
seriesTab: Extract Max Values or Sum of regions in an NMRPipe-format Spectral Series, using an NMRPipe-format Peak Table as Input.


Flag Argument Default Description
 -in inTab Input Table.
 -out outTab Output Table.
 -list seriesList Text File Which Lists Spectra in Series.
Measurment Modes:
 -max Maximum Intensity.
 -sum Sum of Intensities. (Default Mode).
 -poly Polynomial-Fit Intensity.
 -verb Verbose Mode ON.
Input Region Size:
 -ndim nd 2 Dimension Count of Input Region
 -dx dxPts 0 +/- X-Axis Pts of Input Region.
 -dy dyPts 0 +/- Y-Axis Pts of Input Region.
 -dz dzPts 0 +/- Z-Axis Pts of Input Region.
Fourier Interpolation Options:
 -xzf xPts 2dx+1 X-Axis Size After Interpolation.
 -yzf yPts 2dy+1 Y-Axis Size After Interpolation.
 -zzf yPts 2dz+1 Z-Axis Size After Interpolation.
 -adx dxPts dx +/- Pts of Analysis Region.
 -ady dyPts dy +/- Pts of Analysis Region.
 -adz dyPts dz +/- Pts of Analysis Region.
Notes:
  1. When using Fourier Interpolation, specify a small enough analysis region to avoid edge effects.
  2. Polynomial mode is unreliable if peak positions change substantially over the series.

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last updated: Jan 22, 2009 / big frank

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