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
dynGetInfo: Get information associated with a DYNAMO object; commonly, used to extract the first and last residue ID in a molecular structure.

Flag Argument Default Description
 -src pdbSrc Source of Structure.
 -res resID Single Residue for Selection.
 -r1 res1 First Residue in Segment.
 -rN resN Last Residue in Segment.
 -chain cName Chain Name.
 -seg sName Seg Name.
 -all Use All Atoms in Selection.
PDB Modes:
 -atomName Extract Atom Names.
 -resName Extract Residue Names.
 -chainName Extract Chain Names.
 -segName Extract Seg Names.
 -extent Extract XYZ Min/Max, Center Coord.
 -mass Extract Molecular Weight.
 -radGyr Extract Radius of Gyration.
 -extent Extract XYZ Min/Max, Center Coord.
 -limits Extract min/max ResID and Atom Count. (Default)
Dipolar Coupling Table Modes:
 -dc Extract Dipolar Coupling Info.
 -dcDiff Report DC Obs-Calc Only.
PCS Table Modes:
 -pcs Extract PCS Paramagnetic Info.

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last updated: Jan 22, 2009 / big frank

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