vmd.vmdnumpy.atomselect

vmd.vmdnumpy.atomselect()

Return an array of ints representing flags for on/off atoms in an atom selection

Parameters:

• selection (str) – Atom selection string
• molid (int) – Molecule ID. Defaults to -1 (top molecule)
• frame (int) – Frame to select. Defaults to -1 (current frame)

Returns:

(N, int ndarray) –

Flags for atoms, where N is the number of atoms

in the molecule. The value for an atom will be 1 if it is in the selection, 0 otherwise