CYANA Command: angles flip: Difference between revisions

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== Description ==
== Description ==


The '''angles flip''' command can be used to optimally flip torsion
All selected angles of the selected memory structures are analyzed to find the most frequent angle value. Then the angles are flipped by 180° if the new angle is nearer to this most frequently found angle value. This command is used by the flip macro.
angles that have two equivalent positions differing by 180 degrees
in a group on conformers. Such flipping is useful, for instance,
when calculating RMSD values. In polypeptides this applies mainly to
the aromatic rings of Phe and Tyr (CHI2), and to the side-chain COO-
groups of Asp (CHI2) and Glu (CHI3).
 
Torsion angles that match the selection ''string'' are changed by 180
degrees, if necessary to attain the smallest possible deviation from a
common average value within the selected conformers. By default, the
selection made in the most recent '''angles select''' command is used,
or all angles if no selection has been made so far. Flipping will
occur only for those selected torsion angles that have two equivalent
positions differing by 180 degrees.
 
The '''flip.cya''' macro provides a convenient interface for appying this
command to proteins.


== See also ==
== See also ==


* [[flip]]
* [[flip]]

Revision as of 13:27, 5 August 2009

Parameters

selection=string
(default: none)

Description

All selected angles of the selected memory structures are analyzed to find the most frequent angle value. Then the angles are flipped by 180° if the new angle is nearer to this most frequently found angle value. This command is used by the flip macro.

See also

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