Difference between revisions of "Smooth"

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(See Also)
(Usage)
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* ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window
 
* ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window
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To see smooth in context see this [http://www.pymolwiki.org/index.php/Protect#Example example]
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= NOTES =
 
= NOTES =
 
* This type of averaging is often used to suppress high-frequency vibrations in a molecular dynamics trajectory.
 
* This type of averaging is often used to suppress high-frequency vibrations in a molecular dynamics trajectory.

Revision as of 15:42, 28 August 2015

Smooth performs a window average of coordinate states.

Usage

smooth [ selection [, passes [, window [, first [, last [, ends]]]]]]

# for example, smooth and object with 30 passes and
# a window size of 100.
smooth myObj, 30, 100
  • ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window

To see smooth in context see this example

NOTES

  • This type of averaging is often used to suppress high-frequency vibrations in a molecular dynamics trajectory.
  • This function is not memory efficient. For reasons of flexibility, it uses two additional copies of every atomic coordinate for the calculation. If you are memory-constrained in visualizing MD trajectories, then you may want to use an external tool such as ptraj to perform smoothing before loading coordinates into PyMOL.

See Also