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        • Molecule.part_rotate

    Molecule.part_rotate¶

    Molecule.part_rotate(self, bond, atoms, angle, zero)¶

    Rotate a set of specified atoms around a given bond as the rotation axis. First however the system needs to be set to zero. Therefore the atom id to define the new coordinate system must be given for the set of specified atoms. Normally this is the atoms that is on the end of the given bond axis.

    Parameters:
    bond : list

    List of two atom ids of the bond to be set as an axis

    atoms : integer, list

    List of atoms to be rotated (can also be one id)

    angle : float

    Rotation angle

    zero : integer

    Atom id to define zero point of the new coordinate system

    Examples

    mol.part_rotate([0, 1], [1, 2, 3], 90, 0)
    

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    © Copyright 2021, Hamzeh Kraus.
    Created using Sphinx 1.6.6.