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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
name2torsion.tcl: Convert Named Torsion Input to DYNAMO Format.
| Flag |
Argument |
Default |
Description |
-in |
inName |
torsion.txt |
Torsion Names/Values (See Below). |
-pdb |
pdbName |
ref.pdb |
Corresponding PDB (for Atom Names). |
-seg |
segName |
PROT |
Segment Name. |
-fc |
fc |
1.0 |
Force Constant. |
Optional Adjustment of Torsion Range:
-da |
daDeg |
0.0 |
+/- Degrees for Angular Range. |
-a |
aScale |
1.0 |
Angular Range Scale Factor. |
Input Line Formats:
torsionName resID torsionValue
torsionName resID torsionValue torsionRange
torsionName resID unusedValue torsionLo torsionHi
Recognized Torsion Names for Proteins:
phi psi alpha omega chi1 ...
Recognized Torsion Names for DNA/RNA:
alpha beta gamma delta epsilon zeta chi v0 v1 v2 v3 v4
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last updated: Jan 22, 2009 / big frank
Contact site designer mimi at
mdelaglio@hotmail.com
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