Centerofmass

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The centerofmass command calculates the center of mass for an atom selection. It considers atom mass and occupancy.

New in PyMOL 1.7.2. See the center_of_mass script for older PyMOL versions.

Usage

centerofmass [ selection [, state ]]

Arguments

  • selection = str: atom selection {default: all}
  • state = int: object state, -1 for current state, 0 for all states {default: -1}

Example

PyMOL> fetch 1ubq, async=0
PyMOL> centerofmass
 Center of Mass: [  30.004,  28.522,  14.701]

Python API

cmd.centerofmass() returns a list of 3 floats.

See Also