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



NMRWish Built-In TCL Functions
dynSetAtomInfo: Set the information associated with an atom, such its coordinates.

Flag Argument Default Description
 -src pdbSrc Source of Structure Data.
 -atomEntry loc Location of Atom Entry.
 -x xCoord X Coord.
 -y yCoord Y Coord.
 -z zCoord Z Coord.
 -atomID atomID Atom ID Number.
 -res rID Res ID Number.
 -resName resName Res Name.
 -atomName atomName Atom Name.
 -chainName chainName Chain Name.
 -segName segName Segment Name.
 -chargeStr chargeStr Charge (2-Char PDB Value).
 -charge charge Charge (Internal Value).
 -occ occ Occupancy.
 -temp temp Temperature Factor.
 -sID sID Selection ID.

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com