================================ Select ================================ A select is a group of atoms. The :mod:`Selects ` object controls various settings for select. Creating a select ==================== You can create a select for the first 3 atoms by: .. code:: python indices = [0, 1, 2] sel1 = batoms.selects.add("name", indices) For exmaple, we have a molecule adsorbed on Au (111) surface. We can select the molecule, and change its model_style to 1. .. code:: python from batoms.batoms import Batoms from ase.build import molecule, fcc111 au111 = fcc111("Au", (4, 4, 4), vacuum=0) au111 = Batoms("au111", from_ase=au111) mol = Batoms("mol", from_ase=molecule("CH3CH2OH")) mol.translate([5, 5, 10]) au111 = au111 + mol au111.cell[2, 2] += 10 sel1 = au111.selects.add("mol", np.where(au111.arrays["species"] != "Au")[0]) au111.selects["mol"].model_style = 1 .. image:: /images/select_au111.png :width: 8cm You can select the secondary structures of a protein, and make change to them. For exmaple, show the atoms for a secondary structure by: .. code:: python sel1 = protein.selects.add('sel1', 'sheet A-160-A-170') sel1.show = True sel1.model_style = 1 .. image:: /images/ribbon-1ema-2.png :width: 8cm Select Panel Controls ===================== All selects are shown in the `Vertex Groups Panel`. One can use the panel directly. See the ``Vertex group`` docs. https://docs.blender.org/manual/en/latest/modeling/meshes/properties/vertex_groups/assigning_vertex_group.html .. image:: /images/vertex_group_panel.png :width: 20cm