Scripts of the NMRPipe System
mfr2torsion.tcl: Extract Named Torsion Restraints from MFR Search Results.

Flag Argument Default Description  -mfr mfrName mfr.tab Input Fragment Table.  -ref pdbName ext.pdb PDB File Reference Input.  -out pdbName mfrTor.pdb PDB File Output.  -r1 r1 First First Residue in Output Range.  -rN rN Last Last Residue in Output Range.  -skip skip 1 Head/Tail Residues to Skip.  -maxPhi mPhi 60.0 Max Allowed Phi Std Deviation.  -maxPsi mPsi 60.0 Max Allowed Psi Std Deviation. Clusters and Cluster Scoring (N = Cluster Member Count):  -wInfo wPairs TOTAL_Q 1.0 Weight Coefficients for Score.  -dPhi dPhi 30.0 Phi Nearest Neighbor Distance.  -dPsi dPsi 30.0 Psi Nearest Neighbor Distance.  -useNScale Scale Scores by Sqrt(N) (Default).  -noNScale No Member Count Scaling of Score. Fragments to Use:  -dcNMin dcNMin 15 Minimum Allowable DC Values.  -maxRank maxRank 10 Max Rank of Fragments. Source of Input Structures:  -pdbDir pdbDir PDBH_DIR Location of MFR PDB Files.  -fragDir fragDir None Location of MFR PDB Fragments.  -useFragName Use FRAG_NAME from MFR Table.