Welcome to TheorChem2Blender’s documentation!¶
TheorChem2Blender (formerly known as Gaussian-2-Blender) is an API to convert .com input files from various sources into 3D models ready to be used in Blender, Maya, Unity, Unreal, and other programs for 3D modeling.
Check out the Getting Started section for further information on how to use the program.
Check out the Tutorial section for stepwise examples on how to use the program for various applications.
Check out the For Developers section if you plan to extend the functionality of the program.
Check out the GUI section to see all the scripts and modules to build the program’s graphical user interface.
Check out the Blender API section to see all the scripts and modules that handle the creation of 3D models in Blender
Contents¶
- Getting Started
- Instructions
- Visualizing Results
- Tutorial
- 1. From MarvinSketch to Blender
- 2. From Molecular Dynamics to Blender (General)
- 3. TheorChem2Blender - Basic use
- 4. TheorChem2Blender - Highlighting atoms and bonds
- 5. TheorChem2Blender - Specifying ionic radii
- 6. TheorChem2Blender - Animating .com input
- 7. TheorChem2Blender - Animating .xyz input
- Video walkthroughs
- For Developers
- File structure
- GUI
- Main GUI Script
- Actions Region Module
- Blender Path Module
- Bond Conventions Module
- Console Region Module
- Coordinates Module
- Create Tooltip Module
- Highlighter Region Module
- Information Module
- Input Region Module
- Ion Conventions Module
- Ionic Module
- Ion Region Module
- Output Region Module
- Selected Ion Module
- Text Redirector Module
- Tutorial Module
- Utility Module
- Walkthrough Region Module
- Blender API
- Main Body script
- Animate Module
- Atom Highlighter Module
- Atom Data Module
- Bond Order Calculator Module
- Clear Transforms Module
- Create Materials Module
- Export Data Module
- Import Data Module
- Instantiate Molecules Module
- Ions Module
- Primitives Module
- Raw Parameters Module
- Receive Parameters Module
- Refine Data Module
- Refine Elements Module
- XYZ Reader Module
- Mol2 Reader Module
- Program Architecture
- Cite this program
Note
Gaussian-2-Blender V.2022.6 was published at the Journal of Chemical Education. The program is currently undergoing updates to implement changes suggested by users. The objective of the current changes is to submit the updated version to the Journal of Cheminformatics. This documentation is for TheorChem2Blender V.2025.7,
which is the next step in the life cycle of the program. I decided to implement more input files than only _Gaussian_.