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
fixPDB.tcl: Adjust a PDB for use in TALOS/DYNAMO database applications.

Flag Argument Default Description
 -in inPDBName Input PDB File.
 -out outPDBName Output PDB File.
 -seg segName Segment Name for Output PDB.
 -gmc gmcName GMC Directory Name, if Needed to Add Protons.
 -gap maxPDBGap Maximum Allowable Missing Residue Count.
 -addH Force Addition of Protons via DYNAMO Annealing.

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com