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Couplings make - Revision history
2026-04-20T02:23:18Z
Revision history for this page on the wiki
MediaWiki 1.45.1
https://cyana.org/w/index.php?title=Couplings_make&diff=3693&oldid=prev
Admin: 1 revision
2009-01-28T18:18:38Z
<p>1 revision</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:18, 28 January 2009</td>
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https://cyana.org/w/index.php?title=Couplings_make&diff=2891&oldid=prev
Admin: 1 revision
2009-01-28T18:12:26Z
<p>1 revision</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:12, 28 January 2009</td>
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https://cyana.org/w/index.php?title=Couplings_make&diff=2079&oldid=prev
Admin: 1 revision
2009-01-28T17:25:55Z
<p>1 revision</p>
<p><b>New page</b></p><div><br />
== Parameters ==<br />
<br />
; first=''string'' (required)<br />
; second=''string'' (required)<br />
; value=''real'': (default: 1.0)<br />
; tolerance=''real'': (default: 1.0)<br />
; weight=''real'': (default: 1.0)<br />
; karpluscurve=''string'': (default: ''none'')<br />
<br />
== Description ==<br />
<br />
Add new scalar coupling constant restraints. Scalar coupling constant<br />
restraints are added between atoms selected by the '''first''' and '''second'''<br />
atom selections, respectively. The scalar coupling constant value,<br />
its tolerance, relative weight, and Karplus curve parameters are set<br />
as given by the '''value''', '''tolerance''', '''weight''', and '''karpluscurve'''<br />
parameters.<br />
<br />
The command can also be used to simulate scalar coupling constant<br />
restraints on the basis of a given structure: If the '''value''' parameter<br />
is not given, then the scalar coupling constant value of the new<br />
restraints will be to the average value obtained from the selected<br />
conformers using the given Karplus curve.<br />
<br />
Karplus curves must be specified in the form A+B*cos(d)+C*cos(d)**2,<br />
where A, B and C are real numbers, and d denotes the value of the<br />
torsion angle formed by the two scalar coupled atoms.</div>
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