Get coordset - Revision history

Cchem: 1 revision

2017-09-18T02:46:08Z

1 revision

Speleo3: name argument

2017-09-04T16:24:28Z

name argument

Bell: 1 revision

2016-01-03T07:02:34Z

1 revision

Speleo3: created

2015-12-29T01:02:40Z

created

New page

[[get_coordset]] is an API only function that returns the coordinates of one object-state (one "coordinate set") as a numpy array.

''New in PyMOL 1.7.4''

The order of coordinates might differ from functions like [[iterate]] or [[get_coords]]. The function does '''not''' take the state or TTT matrices into account.

== PyMOL API ==

<source lang="python">
cmd.get_coordset(str name, int state=1, int copy=1)
</source>

'''Returns:''' ndarray, shape (N, 3), where N is the number of atoms.

== Arguments ==

* '''selection''' = str: atom selection
* '''state''' = int: state index {default: 1}
* '''copy''' = 0/1: {default: 1} '''Warning: only use copy=0 if you know what you're doing.''' copy=0 will return a numpy array which is a wrapper of the internal coordinate set memory and provides read-write access. If the internal memory gets freed or reallocated, this wrapper will become invalid.

== Examples ==

Move an object to its geometric center:

<source lang="python">
cs = cmd.get_coordset('1ubq', copy=0)
cs -= cs.mean(0)
cmd.rebuild()
</source>

== See Also ==

* [[load_coordset]]
* [[get_coords]]

[[Category:Scripting]]

← Older revision	Revision as of 02:46, 18 September 2017
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 == Arguments ==
-* '''selection''' = str: atom selection
+* '''name''' = str: object name
 * '''state''' = int: state index {default: 1}
 * '''copy''' = 0/1: {default: 1} '''Warning: only use copy=0 if you know what you're doing.''' copy=0 will return a numpy array which is a wrapper of the internal coordinate set memory and provides read-write access. If the internal memory gets freed or reallocated, this wrapper will become invalid.

← Older revision	Revision as of 07:02, 3 January 2016
(No difference)