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
mapPDB.tcl: Map DYNAMO Table Data onto PDB File.

Flag Argument Default Description
 -in inPDBName ref.pdb PDB Input.
 -out outPDBName map.pdb PDB Output.
 -tab inTabName eval.tab Table Input.
 -inVar inVar ANGLE_VIO Input Variable from Table.
 -outVar outVar TEMPFACTOR Output Variable in PDB.
 -vDef vDef 0.0 Default Value for Output.
 -vMin vMin 0.0 Lower Range of Output.
 -vMax vMax 999.0 Upper Range of Output.
 -select cond 1 Table Selection Condition.
 -all Map Values Onto Entire Residues.
 -abs Use Absolute Value of Input.
 -avg Use Average Values.
 -seg Use Seg Name Info.
 -noseg Ignore Seg Name Info (Default).
Notes:
  Use keywords 'tMin' and 'tMax' to set vMin and vMax according to the min and max values in the input table.

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com