Scripts of the NMRPipe System
mfr2surf.tcl: Create Phi/Psi Surfaces from Molecular Fragment Replacement Search.
Flag |
Argument |
Default |
Description |
-mfr |
mfrList |
mfr.tab |
Input Fragment Tables. |
-inPDB |
inPDB |
ext.pdb |
PDB File Input. |
-outPDB |
outPDB |
mfrSurf.pdb |
PDB File Output (Or None). |
-out |
outName |
mfr%03d.dat |
Output Template. |
-outDir |
outDir |
mfrSurf |
Output Directory. |
-pdbDir |
pdbDir |
PDBH_DIR |
PDB Input Directory. |
-fragDir |
fragDir |
None |
MFR Fragment Input Directory. |
-dPhi |
dPhi |
32 |
Gaussian +/- Phi Width, Degrees. |
-dPsi |
dPsi |
32 |
Gaussian +/- Psi Width, Degrees. |
-maxRank |
maxRank |
10 |
Max Rank of Fragments. |
-w |
|
|
Weight Values by Fragment Score. |
|
|