Smooth - Revision history

Bell: 3 revisions

2015-10-19T01:22:12Z

3 revisions

OsvaldoMartin: /* See Also */

2015-08-28T19:43:14Z

OsvaldoMartin: /* Usage */

2015-08-28T19:42:48Z

Usage

OsvaldoMartin: /* See Also */

2015-08-28T19:39:24Z

Bell: 5 revisions

2014-03-28T03:55:45Z

5 revisions

New page

[[Smooth]] performs a window average of coordinate states.

= Usage =
<source lang="python">
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
</source>

* ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window

= 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 =
*[[load_traj]]
* To see this in action, see [[protect]].

[[Category:Commands|Smooth]]
[[Category:Performance|Smooth]]

Vinnyrose at 13:38, 20 June 2009

2009-06-20T13:38:43Z

New page

= Overview =
[[Smooth]] performs a window average of coordinate states.

= Usage =
<source lang="python">
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
</source>

* ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window

= 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, hen you may want to use an external tool such as ptraj to perform smoothing before loading coordinates into PyMOL.

= See Also =
*[[load_traj]]
* To see this in action, see [[protect]].

[[Category:Commands|Smooth]]
[[Category:Performance|Smooth]]

← Older revision	Revision as of 01:22, 19 October 2015
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 = See Also =
-*[[Load_Traj]]
+[[Load_Traj]], [[protect]].
 [[Category:Commands|Smooth]]
 [[Category:Performance|Smooth]]

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 * ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window
-−
 = NOTES =
 * This type of averaging is often used to suppress high-frequency vibrations in a molecular dynamics trajectory.