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

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

NMRWish Built-In TCL Functions
decoNMR: Matrix decomposition of NMRPipe-format data by nonlinear least-squares.

Flag Argument Default Description
 -rdata rPtr 0 Data Matrix Ptr for Input Data.
 -fdata fPtr 0 FDATA Ptr for Input Data.
 -nc nc 1 Number of Components to Find.
 -noise s 1.0 Noise Std Dev of Input Data.
 -thresh t 0.0 Noise Threshold of Input Data.
Target Function Weights:
 -wNeg wN 0.0 Weight, Negative Data Penalty.
 -wEntropy wS 0.0 Weight, Data Entropy.
Optimization Parameters. Use Zero for Defaults:
 -xStep xs 0.0 X-Vector Step Size.
 -yStep ys 0.0 Y-Vector Step Size.
 -zStep zs 0.0 Z-Vector Step Size.
 -tol t 0.0 Convergence Tolerance.
 -verb Verbose Mode ON.
  Returns One Triplet for Each Dimension:
  {rdata fdata totalSize}

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last updated: Jul 4, 2012 / big frank

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