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
  325 Union Avenue #212
  Campbell CA 95008 USA


  Tel: 301 806-0867
  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


[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Jul 4, 2012 / big frank

Contact site designer mimi at mdelaglio@hotmail.com