Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



NMRWish Built-In TCL Functions
dynRead: Read a table or molecular structure for the DYNAMO structure manipulation environment.

Flag Argument Default Description
 -in inName Input Name or List.
 -prefix str Verbose Mode Prefix Text.
 -dyn Add Dynamics Info (PDB Only).
 -verb Verbose Mode ON.
Input Format Types:
 -pdb PDB Format (Default).
 -gmc GMC Format.
 -gdb GDB Database Format.
 -dc Dipolar Couplings.
 -dcList Dipolar Coupling Table List.
 -cs Chemical Shifts.
 -pcs Pseudo-Contact Shifts.
 -j J-Couplings.
 -dist Generic Distances.
 -noe NOE Distances.
 -ds Pairwise Symmetry Distances.
 -ac Atom Coord Constraints.
 -atom Atom Parameters.
 -bond Atomic Bonds.
 -vdwex VDW Exclusions.
 -vdwexSeg Exclude Inter-Segment VDW Terms.
 -hbond Hydrogen Bonds.
 -radGyr Radius of Gyration.
 -angle Angles.
 -torsion Torsion Angles.
 -improper Torsion Angles.
 -dt DELPHIC Torsion restraints.
 -dtg delTorSrc DELPHIC Torsion Gaussians.
 -auto Auto Mode.
 -null Null Argument.
Special Chemical Shift Options:
 -csWList wList AtomName/Weight Pairs.
 -csSrc csSrc Known Chemical Shifts of PDB.
Special Dipolar Coupling (DC) Options:
 -keepDI Keep Existing Dipolar Interation (DI) Values.
 -nokeepDI Replace Existing DI Values (Default).
 -daScale Scale Forces of Multiple Tensors (Default).
 -nodaScale No Scaling of Forces.