Scripts of the NMRPipe System
orientDC.tcl: Find Optimal Orientation for Two Domains Using Dipolar Couplings.
Flag |
Argument |
Default |
Description |
-ref |
refPDBName |
ref.pdb |
Reference (Fixed) PDB Input File. |
-pdb |
rotPDBName |
rot.pdb |
PDB Input File To Be Rotated. |
-dc |
dcNameList |
dObs*.tab |
DC Input Tables. |
-tab |
tabName |
orient.tab |
Output Table of Orientation Maxima. |
-save |
|
|
Save Surfaces surf*/r%03d.dat |
-nosave |
|
|
No Surface File Output (Default). |
-verb |
|
|
Verbose Mode ON (Default). |
-noverb |
|
|
Verbose Mode OFF. |
-ignore |
|
|
Ignore Seg/Chain Information. |
-exit |
|
|
Exit After Grid Search is Complete. |
PDB Output Templates:
-or |
orPDBName |
orient%d.pdb |
Output of Rotated PDB. |
-out |
outName |
complex%d.pdb |
Output of Rotated PDB and Ref. |
-n |
bestCount |
2 |
Number of Orientations to Save. |
Rotation Grid Search Parameters, Degrees:
-rx1 |
rx1 |
-180.0 |
X-Axis Starting Rotation. |
-rxn |
rxn |
180.0 |
X-Axis Ending Rotation. |
-rxStep |
rxStep |
5.0 |
X-Axis Rotation Step. |
-ry1 |
ry1 |
-180.0 |
Y-Axis Starting Rotation. |
-ryn |
ryn |
180.0 |
Y-Axis Ending Rotation. |
-ryStep |
ryStep |
5.0 |
Y-Axis Rotation Step. |
-rz1 |
rz1 |
0.0 |
Z-Axis Starting Rotation. |
-rxn |
rzn |
180.0 |
Z-Axis Ending Rotation. |
-rzStep |
rzStep |
5.0 |
Z-Axis Rotation Step. |
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