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
dcEnsemble.tcl: SVD Fit of Dipolar Couplings to an Ensemble of PDB Files.

Flag Argument Default Description
 -dc dcName dObsA.tab Input DC Table.
 -pdb pdbList s[0-9]*.pdb Input PDB List.
 -w wList 1.0 ... Weighting Factors for PDBs.
 -out outName dEnsemble.tab Output DC Name.
 -ignore Ignore Chain/Seg Info (Default).
 -noignore Keep Chain and Seg Info.
 -verb Verbose Mode ON (Default).
 -noverb Verbose Mode OFF.
Notes:
  The PDB files must include all atoms specified in the DC input tables.

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last updated: Jan 22, 2009 / big frank

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