Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
vina.tcl: Summarize TALOS predictions in a single table.

Flag Argument Default Description
 -predDir pDir pred Directory of existing predictions.
 -talosDir mDir . TALOS Main Directory: TALOS_DIR.
 -in inName None Input shift table used previously.
 -ref refName None Reference PDB for testing.
 -sum sumName pred.tab Prediction summary output name.
 -map mapName vina.dat Ramachandran Binary Map name.
 -count mc 10 Max match count per triplet.
 -dPhi phiDev 35.0 Max Allowable Phi Std Deviation.
 -dPsi psiDev 35.0 Max Allowable Psi Std Deviation.
 -lim limDeg 35.0 Limit for 'Near Test'.
 -auto Automatic classification (Default).
 -noauto No automatic classification.
Examples:
  vina.tcl -in ubiqCS.tab
  vina.tcl -in ubiqCS.tab -ref xray.pdb
See also:
  talos.tcl Creates predictions by shift homology.
  rama.tcl Graphical interface to inspect results.