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
mfr2surf.tcl: Create Phi/Psi Surfaces from Molecular Fragment Replacement Search.

Flag Argument Default Description
 -mfr mfrList mfr.tab Input Fragment Tables.
 -inPDB inPDB ext.pdb PDB File Input.
 -outPDB outPDB mfrSurf.pdb PDB File Output (Or None).
 -out outName mfr%03d.dat Output Template.
 -outDir outDir mfrSurf Output Directory.
 -pdbDir pdbDir PDBH_DIR PDB Input Directory.
 -fragDir fragDir None MFR Fragment Input Directory.
 -dPhi dPhi 32 Gaussian +/- Phi Width, Degrees.
 -dPsi dPsi 32 Gaussian +/- Psi Width, Degrees.
 -maxRank maxRank 10 Max Rank of Fragments.
 -w Weight Values by Fragment Score.

[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Apr 20, 2011 / big frank

Contact site designer mimi at mdelaglio@hotmail.com