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



Scripts of the NMRPipe System
fitTab.tcl: Fit Data from Columns of a Table.

Flag Argument Default Description
 -in inName test.tab Table Input.
Table Variable Expressions:
 -x xExpr 1.0 Expression for X-Values.
 -y yExpr 1.0 Expression for Y-Values.
 -n nExpr 1.0 Expression for Noise Values.
 -f fExpr 1.0 Expression for Model Function.
Model Parameter Values:
 -p pList 1.0 Initial Parameter Values.
 -pHi hList +1e+16 ... Upper Bound for Parameter Values.
 -pLo lList -1e+16 ... Lower Bound for Parameter Values.
 -v vNames a b c ... Corresponding Parameter Variable Names.
Other Arguments:
 -tol tol 1.0e-6 Convergence Tolerance.
 -gc gCount 1 Monte Carlo Trial Count.
 -res Model Returns Residual.
 -verb Verbose Mode ON.

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last updated: Apr 20, 2011 / big frank

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