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.
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