Scripts of the NMRPipe System
mfr2dyn.tcl: DYNAMO Torsion or AC Restraints from MFR Search.
Flag |
Argument |
Default |
Description |
-mfr |
mfrName |
mfr.tab |
Input Fragment Table. |
-pdb |
pdbName |
ext.pdb |
PDB File Input. |
-torsion |
tName |
torsions.tab |
Torsion Table Output (Or None). |
-ac |
acName |
ac.tab |
AC Table Output (Or None). |
-seg |
segName |
PROT |
Segment Name for Output. |
-atom |
aNames |
C CA N |
Atom Names for AC Restraints. |
-r1 |
r1 |
First |
First Residue in Output Range. |
-rN |
rN |
Last |
Last Residue in Output Range. |
-pdbDir |
pdbDir |
PDBH_DIR |
Location of MFR PDB Files. |
-maxRank |
maxRank |
10 |
Max Rank of Fragments. |
-acFC |
acFC |
10.0 |
AC Force Constant Scale. |
-tFC |
tFC |
1.0 |
Torsion Force Constant Scale. |
-dPhi |
dPhi |
15.0 |
Torsion Phi +/- Range, Degrees. |
-dPsi |
dPsi |
15.0 |
Torsion Psi +/- Range, Degrees. |
-id |
firstID |
1 |
First Restraint ID Number. |
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