Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
fixCS.tcl: Adjust a Chemical Shift Table for use in a TALOS/DYNAMO database.

Flag Argument Default Description
 -in inName csObs.tab CS Input Table.
 -out outName csAdj.tab CS Output, Adjusted.
 -pdb pdbName ref.pdb Reference PDB File.
 -sim simName csCalc.tab CS Simulation Output.
 -keep frac 0.9 Fraction for Outlier Filtering.
 -disu dist 3.0 Disulfide Bond Distance.
 -cacb Allow Seperate CA and CB Adjustments.