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
resetPhiPsi.tcl: Reset PDB Phi/Psi Backbone Angles.

Flag Argument Default Description
 -in inName ref.pdb PDB Input
 -out outName ext.pdb PDB Output.
 -r1 r1 First First Residue in Range.
 -rN rN Last Last Residue in Range.
 -phi phiVal -57 Phi Value, Degrees.
 -psi psiVal -47 Psi Value, Degrees.
 -tor tName None Optional Torsion Restraints.
 -pdb pName None Optional PDB Input for Torsions.
 -all Reset All Angles (Default).
 -noall Reset Using Only PDB/Torsion.
 -ignore Ignore Seg/Chain Info.
 -verb Verbose Mode ON.

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com