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
star2cs.tcl: Extract NMR-star chemical shifts to NMRPipe-Format Table.

  Usage: star2cs.tcl < inName > outName
Flag Argument Default Description
 -in inName Star Format Input.
 -out outName NMRPipe Format Output.
 -src srcName inName Value for SOURCE column of output.
 -hdr Display Header (Default).
 -nohdr No Header.
Atom Name Conversion:
 -aIn aList H Any Input Atom Names to be Converted.
 -aOut aList HN Corresponding Output Atom Names.
Notes:
  Depends on finding a loop which includes all of:
  _Residue_seq_code
  _Residue_label
  _Atom_name
  _Chem_shift_value

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last updated: Apr 20, 2011 / big frank

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