ChemClean is a specifically designed software tool for 2-D
structure optimization. Structure with proper geometry reveals
many chemical and physical properties of molecule itself. C++ is
the programming language which allows us to build reliable 2-D
structure cleanup tool. ChemCLEAN tool has been built using
Visual C++ compiler and hence its Graphic User Interface helps
the user to interact using mouse functions rather than text
FUNCTIONALITY OF ChemCLEAN:
· Enable input in both mol and mol2 format.
· Enable structure input by drawing in the drawing panel.
· Enable insertion of atom labels by selecting through the periodic table
incorporated within the tool.
· Display atom labels along with numbering in sequence.
· Enable deletion of bonds through eraser tab and editing tab is provided for
editing the structure.
· Displays the data regarding coordinates, connectivity pattern and aromaticity of
the atoms in the text panel.
· Enable cleaning up of structure (structure containing atom of maximum three
degree of vertex limited to ring system only) with the help of clean up tab in the