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
  325 Union Avenue #212
  Campbell CA 95008 USA


  Tel: 301 806-0867
  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: Jul 4, 2012 / big frank

Contact site designer mimi at mdelaglio@hotmail.com