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
ov.tcl: Find Coord and Phi/Psi RMS Between Two or More PDB Structures.

Flag Argument Default Description
 -ref refPDBName ref.pdb Reference PDB Name.
 -in inPDBName avg.pdb Input PDB Name or List.
 -out ovName overlay.pdb Output Name for Overlay.
 -align aName None Output Names for Aligned PDBs.
 -tmp tempName tmp.pdb Temporary File Name.
 -r1 r1 First First Residue in Reference Range.
 -rN rN Last Last Residue in Reference Range.
 -a1 a1 R1 First Residue in Input Range.
 -atom aList Auto Atom Names for Coord RMS.
 -heavy Use Atom Names: C* N* O* P* S*
 -norot Optimize Translation Only.
 -verb Verbose Mode ON (Default).
 -noverb Verbose Mode OFF.
 -hdr Print Header for Verbose Mode OFF.
 -ignore Ignore Seg/Chain Info (Default).
 -noignore Use Seg/Chain Info.
Report Types:
 -auto Auto Mode ON. (Default)
 -prot Report Protein Info.
 -na Report DNA/RNA Info.
 -other No Special Reporting.

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last updated: Apr 20, 2011 / big frank

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