rototrans
SYNOPSIS
rototrans [x_trans=<amplitude in Å of the translation on the X axis>; defaults to 0.0] \
[y_trans=<amplitude in Å of the translation on the Y axis>; defaults to 0.0] \
[z_trans=<amplitude in Å of the translation on the Z axis>; defaults to 0.0] \
[x_rot=<amplitude in degrees of the rotation on the X axis>; defaults to 0.0] \
[y_rot=<amplitude in degrees of the rotation on the Y axis>; defaults to 0.0] \
[z_rot=<amplitude in degrees of the rotation on the Z axis>; defaults to 0.0] \
[object_list | id_list=<comma/hyphen separated list | ALL; defaults to ALL>] \
file=<filename>
DESCRIPTION
The rototrans keyword allows translating and/or rotating as a whole the currently loaded dataset
(or a subset of objects selected through object_list or id_list parameters)
by the amount specified by the x_trans, y_trans, z_trans,
x_rot, y_rot, z_rot parameters.
Rotation is carried out setting the origin at the centre of mass of the selected objects;
the order in which rotations around the three cartesian axes are applied is X, Y, Z.
The new coordinates are saved in the file specified through the file parameter.
EXAMPLES
#this command translates the currently loaded dataset by 2.0 Å in all the three Cartesian directions
and also rotates it by 30° around the X axis, saving the new coordinates as file_rototrans.sdf
rototrans x_rot=2.0 y_rot=2.0 z_rot=2.0
x_rot=30.0 file=file_rototrans.sdf
