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
mfr2dyn.tcl: DYNAMO Torsion or AC Restraints from MFR Search.

Flag Argument Default Description
 -mfr mfrName mfr.tab Input Fragment Table.
 -pdb pdbName ext.pdb PDB File Input.
 -torsion tName torsions.tab Torsion Table Output (Or None).
 -ac acName ac.tab AC Table Output (Or None).
 -seg segName PROT Segment Name for Output.
 -atom aNames C CA N Atom Names for AC Restraints.
 -r1 r1 First First Residue in Output Range.
 -rN rN Last Last Residue in Output Range.
 -pdbDir pdbDir PDBH_DIR Location of MFR PDB Files.
 -maxRank maxRank 10 Max Rank of Fragments.
 -acFC acFC 10.0 AC Force Constant Scale.
 -tFC tFC 1.0 Torsion Force Constant Scale.
 -dPhi dPhi 15.0 Torsion Phi +/- Range, Degrees.
 -dPsi dPsi 15.0 Torsion Psi +/- Range, Degrees.
 -id firstID 1 First Restraint ID Number.

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last updated: Apr 20, 2011 / big frank

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