Structure Transformation Actions

Back to index page

There are some structure transformation actions, which are not available in the JChem for Excel ribbon/context menu/menu/toolbar by default, but it is possible to make them available by customization of the ribbon/context menu/menu/toolbar. The Images folder contains images (AromatizeStructureAction.png, DearomatizeStructureAction.png, ThreeDCleanStructureAction.png, TwoDCleanStructureAction.png, HydrogenizeToStructureAction.png, DehydrogenizeStructureAction) which can be used as icons for these functions.

 

AromatizeStructureAction

Changes the type of alternating single-double bonds of aromatic rings to aromatic bonds.

Button.AromatizeStructureAction

 

Cell.StructureTransformAction.2         Cell.Aromatize

 

DeromatizeStructureAction

Converts aromatic bonds to alternating single-double bonds.

Button.DearomatizeStructureAction

 

 

Cell.Aromatize           Cell.StructureTransformAction.2

 

ThreeDCleanStructureAction

Calculates new 3D coordinates for the molecule. Clean3D builds up conformers of fragments from which the best, i.e. the lowest energy conformer is given back. The quality of the structures is measured by a simple energy function (Dreiding type molecular mechanics).

Button.ThreeDCleanStructureAction

 

Cell.StructureTransformAction.1         Cell.ThreeDClean

 

TwoDCleanStructureAction

Calculates new 2D coordinates for the molecule.

Button.TwoDCleanStructureAction

 

Cell.StructureTransformAction.1           Cell.TwoDClean

 

HydrogenizeToStructureAction

Converts implicit hydrogens to explicit (adds hydrogen atoms to the molecule graph).

Button.HydrogenizeToStructureAction

 

Cell.StructureTransformAction.3         Cell.Hydrogenize

 

DehydrogenizeStructureAction

Converts explicit hydrogens to implicit (removes hydrogen atoms from the molecule graph). Charged, radical, mapped, isotope or wedged hydrogens are not removed.

Button.DehydrogenizeStructureAction

 

Cell.Hydrogenize           Cell.StructureTransformAction.3


Back to index page