Transform

Rotation

rotate(xyz, rot_mat[, center])

Rotate xyz from a rotation matrix.

rot_mat(db, mat, **kwargs)

Rotate molecule in SQL database from a rotation matrix.

get_rot_axis_angle([seed])

Get the rotation angle and axis.

rot_axis(db, axis, angle, **kwargs)

Rotate molecules in a SQL database.

rot_xyz_around_axis(xyz, axis, angle[, center])

Rotate given xyz coordinates.

rot_euler(db, alpha, beta, gamma, **kwargs)

Rotate molecules in SQL database from Euler rotation axis.

rotation_euler(xyz, alpha, beta, gamma[, center])

Rotate given xyz coordinates from Euler rotation axis.

Translation

translation(db, vect, **kwargs)

Translate molecule in SQL database.