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



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: Jul 4, 2012 / big frank

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