Difference between revisions of "Get coords"
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''New in PyMOL 1.7.4'' | ''New in PyMOL 1.7.4'' | ||
| − | The order of coordinates is that of the internal atom ordering, like in [[iterate]], and unlike in [[ | + | The order of coordinates is that of the internal atom ordering, like in [[iterate]], and unlike in [[get_coordset]]. The function considers the object state and TTT matrices, like in [[Get_Model|get_model]]. |
== PyMOL API == | == PyMOL API == | ||
Revision as of 14:41, 28 December 2015
get_coords is an API only function that returns the coordinates of a selection as a numpy array.
New in PyMOL 1.7.4
The order of coordinates is that of the internal atom ordering, like in iterate, and unlike in get_coordset. The function considers the object state and TTT matrices, like in get_model.
PyMOL API
cmd.get_coords(str selection='all', int state=1)
Returns: ndarray, shape (N, 3), where N is the number of atoms if state > 0, or (natoms * nstates) if state=0.
Arguments
- selection = str: atom selection {default: all}
- state = int: state index or all states if state=0 {default: 1}
See Also
For state > 0, the function is equivalent to:
numpy.array(cmd.get_model(selection, state).get_coord_list())