Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
pdbSelect.tcl: Select DYNAMO PDB Files Based on Energy and RMS Values.

Flag Argument Default Description
 -pdb pdbList DYNAMO PDB Files to Analyze
 -n eCount Max Number of Lowest Energy Structures to List.
 -cond cStr Keyword/RMS Max Value Pairs for Selection.
 -inv Invert the Selection.
Keywords (Not Case-Sensitive):
  bond dist angle improper torsion j dc cs pcs noe hbond
  radGyr ds ac vdw pe ke temp grad
Example:
   pdbSelect.tcl -n 10 -cond noe 0.1 torsion 2.0 -pdb ref.gmc/dyn*.pdb