Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
mfr2init.tcl: Estimate Phi/Psi Angles from Molecular Fragment Replacement Search.

Flag Argument Default Description
 -inD dcList dObsA.tab dObsB.tab Input DC Tables.
 -inCS csName csObs.tab Input CS Table.
 -mfr mfrList mfr.tab Input Fragment Tables.
 -inPDB pdbName ext.pdb Reference Structure.
 -outPDB pdbName init.pdb Output Structure.
 -outTab tabName init.tab Output Phi/Psi Table.
 -maxRank rank 10 Max Fragment Rank.
 -pdbDir pdbDir PDBH_DIR MFR PDB Directory.
 -talosir tDir TALOS_DIR TALOS Directory.
Notes:
  Reference structure is used for sequence. Its backbone angles will be reset to generate the output PDB.