Pick Atoms

Description

Enable accessing various information from a displayed molecule. One to four atoms can be picked by Control-LeftButton mouse click in the viewer to obtain:

The information can be show as a label in the viewer (if the output port label_obj is connected to the viewer input) or in the Pick result field int the module panel.

To remove the label from the display just pick on the viewer background or set the pick operation to disabled.

Input Ports

molecule_in MolecularDataType Molecular data corresponding to the displayed structure.
picked_obj DefaultObject The picked graphic object from the corresponding MolViewer output. Picking is done by Control-LeftButton click on the viewer.

Parameters

Select pick operation radio buttons The operation to be performed:
  • Picking disabled.
  • Information on a single atom (one atom picked).
  • Distance between two atoms (two atoms picked).
  • Angle formed by three atoms (three atoms picked). The vertex is the second atom picked.
  • Torsion angle formed by four atoms (four atoms picked). Torsion angle is the angle formed between the planes containing atoms 1,2,3 and 2,3,4.
Pick result text field The pick result values. Those values are the same as the ones on the text label in the viewer.
Label format standard
AVS/Express text graphic object params		 Enable modification of the label display.

Output Ports

label_obj DefaultObject The resulting label object. It has to be sent to the MolViewer input. If not connected the values can be read anyway from the Pick result field in the module panel.

See also