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
simSpecND: Add Spectral Signals to an NMRPipe-Format Spectrum

Flag Argument Default Description
 -in inTable Peak Table Input.
Spectral Input (Use Only One):
 -data dataName Datafile Name.
 -list listName ND File List Name.
Optional:
 -w widthList 2 ... Region Size, +/- Points XYZ...
 -mod modelList GAUSS1D ... Profile names.
 -mult multName PEAK Multiplet type.
 -axis axisOrder XYZABC Axis Order List.
 -hi hiScale 1.0 Height Scale.
 -tau Use Tau Value from Header (Default).
 -notau Use Index as Tau Value.
 -first pkID 0 First Peak ID. Use Zero for All.
 -last pkID 0 Last Peak ID. Use Zero for All.
 -verb Off Verbose mode on.
For TIME1D Profiles:
 -apod apodName Filter List Name.
 -nots No Time-Domain Scale.
Supported Profile Names:
  GAUSS1D LORENTZ1D TIME1D
  COS1D   SIN1D     DCOS1D
  DSIN1D  EXP1A1D   NULL1D
  SCALE1D CTIME1D   GTIME1D
Supported Multiplet Types:
  PEAK JX JY JXY AX


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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com