Welcome NMRPipe: Software for multidimensional NMR Applications and examples NMR and protein structure Miscellaneous Resume, lecture slides, and thesis
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.