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
pdn2hms.tcl: Create Haigh-Mallion Ring Current Calculation Table from PDB.

Flag Argument Default Description
 -pdb pdbName ref.pdb PDB Input (for Sequence).
 -hms hmsName SURF_DIR/hmsRef.tab Haigh-Mallion Definitions.
 -seg segName Default New SEGNAME for Output. Use 'NONE' for No SEGNAME.
 -ignore Ignore SegName from PDB.

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last updated: Apr 20, 2011 / big frank

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