Set Manual Bonds

Description

Manually add bonds between atoms.

Input Ports

structure_in MoleculeType Molecular structure data.
picked_obj DefaultObject The picked graphic object from the corresponding Viewer output. Picking is done by Control-LeftButton click on the viewer.

Parameters

Selected pairs list List of atom pairs selected to create bonds.
Reset button Clear the list.
Delete selected button Enable modification of the axis labels.
Bond max distance slider Max bonding distance for the selected pair.
Retain existing bonds toggle If set add the manual defined bonds to the existing ones, otherwise put on output only the manually defined bonds.
Marker size numeric field Size of the picked atoms marker.
Visible toggle Set visibility of the lines marking the pair of picked atoms.
Freeze toggle Freze the seletion and make possible the save of the picked pairs in the saved application.

Output Ports

structure_out MoleculeType Molecular structure data with the manually added bonds
obj DefaultObject The renderable version of the selected atom marker.

Limitations

If Freeze is not set, picking outside the structure make the list of picked pairs to be cleaned, but the computed bonds remain in place. To resynchronize, just push reset and restart definition.

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