Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
j2dyn.tcl: Convert GDB J Input to DYNAMO Format.

Flag Argument Default Description
 -in inName GDB Input (RESID/J Information Only).
 -pdb pdbName Corresponding PDB (for Sequence and Atom Names).
 -seg segName Default Seg Name.
 -aK A Karplus A Parameter.
 -bK B Karplus B Parameter.
 -cK C Karplus C Parameter.
 -pK Phase Karplus Phase Parameter, Degrees.
Example Karplus Curve Values:

 J-Type   Angle   A       B      C    Phase

 coha      phi   3.72   -2.18   1.28   120
 cocb      phi   1.74   -0.57   0.25   240
 coco      phi   1.36   -0.93   0.60     0
 hncb      phi   3.06   -0.74   0.13    60
 hnco      phi   4.29   -1.01   0.00   180
 hnha      phi   7.09   -1.42   1.55   -60