Frank Delaglio, Ph.D.

Software Science Consultant
325 Union Avenue #212
Campbell CA 95008 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
name2torsion.tcl: Convert Named Torsion Input to DYNAMO Format.

Flag Argument Default Description
 -in inName torsion.txt Torsion Names/Values (See Below).
 -pdb pdbName ref.pdb Corresponding PDB (for Atom Names).
 -seg segName PROT Segment Name.
 -fc fc 1.0 Force Constant.
Optional Adjustment of Torsion Range:
 -da daDeg 0.0 +/- Degrees for Angular Range.
 -a aScale 1.0 Angular Range Scale Factor.
Input Line Formats:
  torsionName resID torsionValue
  torsionName resID torsionValue torsionRange
  torsionName resID unusedValue torsionLo torsionHi
Recognized Torsion Names for Proteins:
  phi psi alpha omega chi1 ...
Recognized Torsion Names for DNA/RNA:
  alpha beta gamma delta epsilon zeta chi v0 v1 v2 v3 v4