Scripts of the NMRPipe System
dynAvg.tcl: Rank PDBs By Coord RMSD, Compute Average Structure.
| Flag |
Argument |
Default |
Description |
-in |
inList |
None |
List of PDB Files to Analyze. |
-ref |
refPDBName |
None |
Optional Reference Structure. |
-r1 |
r1 |
First |
First ResID in Reference. |
-rN |
rN |
Last |
Last ResID in Reference. |
-a1 |
a1List |
First |
List of First ResIDs for Alignment. |
Averaging Modes:
-noavg |
|
|
No Average Structure Used. |
-adj |
|
|
Adjust for Differing Sequences. |
Atom Selection:
-inAtom |
inAtoms |
* |
Atoms Used from Input. |
-alignAtom |
alignAtoms |
CA C N |
Atoms Used for Alignment. |
-heavy |
|
|
Use Atoms: C* N* O* P* S* |
Output (Use None for no Output):
-out |
outName |
avg.pdb |
Average Structure. |
-align |
alignName |
align%03d.pdb |
Aligned Structures. |
Reporting:
-sort |
|
|
Sort by RMS (Default). |
-nosort |
|
|
No Sorting. |
-verb |
|
|
Verbose Mode ON (Default). |
-noverb |
|
|
Verbose Mode OFF. |
|
|