Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
dynAvg.tcl: Rank PDBs By Coord RMSD, Compute Average Structure.

Flag Argument Default Description
 -in inList None List of PDB Files to Analyze.
 -ref refPDBName None Optional Reference Structure.
 -r1 r1 First First ResID in Reference.
 -rN rN Last Last ResID in Reference.
 -a1 a1List First List of First ResIDs for Alignment.
Averaging Modes:
 -noavg No Average Structure Used.
 -adj Adjust for Differing Sequences.
Atom Selection:
 -inAtom inAtoms * Atoms Used from Input.
 -alignAtom alignAtoms CA C N Atoms Used for Alignment.
 -heavy Use Atoms: C* N* O* P* S*
Output (Use None for no Output):
 -out outName avg.pdb Average Structure.
 -align alignName align%03d.pdb Aligned Structures.
Reporting:
 -sort Sort by RMS (Default).
 -nosort No Sorting.
 -verb Verbose Mode ON (Default).
 -noverb Verbose Mode OFF.