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



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.
Notes:
  Returns One Triplet for Each Dimension:
  {rdata fdata totalSize}

[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Apr 20, 2011 / big frank

Contact site designer mimi at mdelaglio@hotmail.com