GChemPaint

GChempaint was developed by Jean Bréfort in 2001. GChemPaint is a two dimensional chemical structure editor for Linux Operating System. It is free and open source software(FOSS) developed in 'C'. It is useful for students, teachers and teacher educators, researchers. For details visit http://www.nongnu.org/gchempaint/

GChemPaint allows to draw and display two dimensional chemical structures. It has inbuilt templates with different categories of structures that can be loaded into the GChemPaint Display area. It has an inbuilt Modern periodic table. It supports multiple file formats like .mol, .pdb .svg, .pdf and other forms. It has an inbuilt Chemical Calculator to calculate molecular weight of compounds and view mass spectra. It helps to convert drawn 2D structures to 3D structures using GChem3D feature. Structures can be viewed in "ball and sticks", "space filling", "Cylinders" and "wireframe". Periodic table trends and properties can be shown using the GChemTable feature. Different types of charts can be created and viewed using GChemTable.

Basic Level

1. Overview of GChemPaint

• Complete installation of GChemPaint along with utility files
• Explanation about GChemPaint User Manual
• View Menubars of GChempaint appears on Ubuntu Desktop menubar
• Explain about GChemPaint utility softwares.
• Explain the relation between GChemPaint and Jmol Application
• Show various structures that can be drawn using GChemPaint

2. Introduction to GChemPaint

• Explanation about GChemPaint
• Uses of GChemPaint
• Benefits of GChemPaint
• Installation
• To open a new file
• To open a new file from Terminal
• Explain about Menubar, Toolbar and Status bar
• Explain about Display area
• Explain about Document Properties window
• Use of Tool box items
• Draw structures using "Add a Chain" tool
• Save the drawing with .gchempaint extension

3. Basic Operations

• Open an existing file
• Add and edit text
• Select and Move objects
• Flip and Rotate objects
• Group and Align Objects
• Explain Cut, copy and paste operations and Clear Display area
• Use of Delete key to delete objects
• Use of "Eraser" tool
• Use of Undo operation

4. View, Print and Export structures

• View options
• Zoom factor
• How to setup a page
• Preview of structures in different orientations
• Print the document
• Export the image in SVG and PDF formats

5. Edit Preferences, Templates and Residues

• Edit Preferences
• Types of Arrows
• Manage Templates
• Select and use ready Templates
• Add a New Template
• Uses of Residues
• Edit Residues and Add new residues

6. Formation of Molecules

• Change current element using Periodic table combo button
• Change the current element using Keyboard
• Explain about Alkyl groups
• Use of Add or modify a text tool
• Demonstration of how to number the chain positions
• Add and modify carbon chain from straight chain to branched

7. Formation of Bonds

• Add bonds to the existing bond
• Convert saturated hydrocarbons to unsaturated hydrocarbons
• Learn about Tetrahedral geometry
• Orient the bonds, Inverse wedge hashes
• Types of Stereo-chemical bonds
• Add Stereo-chemical bonds

8. Editing Molecules

• Add unbound electrons on an atom.
• Draw Carbonic acid and Sulphuric acid structures
• Add and modify a local charge on an atom
• Add and modify a local charge on a group of atoms
• Use of tool “Increment the charge of an atom”
• Use of tool “Decrement the charge of an atom”
• Add cyclic molecules
• Convert monocyclic molecules to bicyclic molecules

Intermediate Level

9. Aromatic Molecular structures

• Draw Cyclohexane molecule
• Convert Cyclohexane to Cyclohexene
• Use "Eraser" tool to delete part of the structure
• Convert Cyclohexene to Benzene.
• Substitute Hydrogen of Benzene ring with other atoms
• Substitute Hydrogen of Benzene ring with group of atoms
• Use Add or modify a group of atoms tool to substitute atoms
• Use tool Merge to merge two molecules

10. Orbital Overlap

• About Atomic orbital
• Different orbital figures
• Shapes of orbitals
• Use “Add or modify an atomic orbital” tool
• Rotate and resize the orbitals
• Positive, negative and zero overlaps
• End-on and side-wise overlap

11. Analysis of Compounds

• Molecular contextual menu
• Use templates tool
• Open web pages of the molecule
• Use of Chemical Calculator
• Show composition and Isotropic pattern of the compound
• Save the molecule in ".mol" format
• Open the molecule in Molecules viewer
• Add reaction conditions and reagents on the reaction arrow
• Convert 2D structures to 3D structures

12.Features of GChem3D

• Open a file in GChem3D
• Menu bar
• About VRML document
• Save image in different File types formats
• Model formats
• Change Background color

13.Features and Color Schemes

• About GChemTable
• Open a new GChemTable window
• Explain about Elemental window
• Use of different Color Schemes

14.Resonance Structure

• Show electron shift of a pair of electons
• Show electron shift of an electron
• Attach a reaction criteria on the reaction arrow
• Create and Destroy a reaction pathway
• Create a Mesomeric pathway
• Show Resonance structures of Nitromethane
• Create a Retrosynthetic pathway

15.Charts in GChemTable

• Create Customized Charts
• About “Graph hierarchy” tree
• About “Graph preview”
• various tabs and drop downs

Contributors and Content Editors

Madhurig, PoojaMoolya, Pratik kamble