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Frank
Delaglio, Ph.D.
Software Science Consultant
13840 Grey Colt Drive
North Potomac MD 20878 USA
Tel: 301 806-0867
Fax: 301 309-8717
E-mail: delaglio@nmrscience.com
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Scripts of the NMRPipe System
rotPCS.tcl: Rotate PDB Structure onto One or More PCS Alignment Frames.
Input Files:
| Flag |
Argument |
Default |
Description |
-pdb |
pdbName |
ref.pdb |
PDB Input File |
-in |
dcInList |
pcsCalc*.tab |
PCS Input Tables |
PDB Output Files:
-out |
outName |
rot.pdb |
Structures Rotated Onto Alignment Frames. |
-rel |
relName |
rel.pdb |
Relative Alignment Frames on Structure. |
-tmp |
tmpName |
tmp.pdb |
Temporary Output Name. |
Other Options:
-tList |
tIDList |
* |
Tensors to Use. |
-scale |
s |
1.0 |
Tensor Size Scale Factor. |
-axis |
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Insert Axis Information (Default). |
-noaxis |
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No Axis Information. |
-halo |
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Insert Halo Information. |
-nohalo |
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No Halo Information (Default). |
-ignore |
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Ignore Segment Name Info. |
-verb |
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Verbose Mode ON (Default). |
-noverb |
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Verbose Mode OFF. |
Notes:
PCS input tables must have DATA for tensor PCS_EULER and G_XYZ.
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last updated: Apr 20, 2011 / big frank
Contact site designer mimi at
mdelaglio@hotmail.com
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