Release 4.6.1
With this update, the user is now able to add bonds of the single, double, and triple variety to the molecule as well as update existing bonds. While this process is an alternative modality to directly adding atoms, alkane chains, and custom groups to the molecule, adding a single bond is essentially the same as adding a lone carbon atom. The impetus for this feature addition was to provide the user with an optional approach they might be more comfortable and familiar with.
Standards: No new standards of note needed to be followed as this was an update to the interface.
Controls: To use the bond addition tool, the user first clicks on the wand/Bond Creator icon to select the tool, then clicks to select one of the bonds (single, double, or triple). The user then clicks in the workspace either on an existing atom to create a new bond, or an existing bond to update it. If the atoms involved in the bond have enough free electrons to support the selected bond, it will be updated. If not, no changes will be made.
Future Considerations: In addition to the bond type selection tool, plans are underway to allow the user to manually add either a wedge or dashed bond shape. Currently the z direction of the newly created bond is not directly left to the user; it is instead assigned based on the order the children atoms are added with the option to rotate the order to change stereochemistry. This update would allow the user to explicitly direct the shape of a bond in the z direction and conversely to flatten an existing wedge or dashed bond. Some thought will be put into this next update, as one of the guiding principles of the interface is to only allow the user to create scientifically and chemically valid molecules. Any and all suggestions are welcome!
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