ChemDoodle 3D is a powerhouse for working with chemistry in 3D with industry leading molecular modeling tools and best-in-class graphics.
- 3D Graphics
A new perspective on chemistry
- Beautiful Graphics
- Completely Customizable Graphics
- Advanced Text System
- Custom Element Color Sets
- After Effects
- Mesh Quality
Interact with your structures in real-time with advanced physical simulations
Accurate Force Field Implementations
Both the Universal Force Field (UFF) and Merck Molecular Force Field (MMFF98) are implemented. Our implementations are some of the most accurate and consistent in the industry. Quickly generate relevant 3D coordinates for your built structures.
Choose from various optimization functions to minimize your energies including steepest descent, conjugate gradients, and BFGS, with several line search options. These optimization procedures can be run in real time (using the Minimizer widget) so you can interact with molecules while you are building them or easily change between conformations.
ChemDoodle 3D will automatically map atom types for you, and will let you know when a structure is not compatible with a force field. While optimizing structures, ChemDoodle 3D can render force vectors and atom types for reliability and referencing.
- Small Molecules
Build and visualize your molecules in 3D
- Intuitive Controls
- Advanced Selections
- 6 Bond Types
- Smart Bonds
- Optimize Zone
- Balls and Sticks
- Show Labels
- Add Hydrogens
- Implicit Hydrogens
- Aromatic Representations
- Optimize Structures
- Cheminformatics Functions
- Database Lookup
In addition to creating beautiful graphics for small molecule structures, ChemDoodle 3D will also help you to edit and create graphics for protein and nucleic acid macromolecules. The above image was rendered in ChemDoodle 3D of Protein Data Bank entry 5LRS with two solvent accessible surfaces rendered for the protein chains and using the None shader.
3D scientific graphics, big and small!
- Protein Data Bank Format
- Macromolecular Transmission Format
- Protein Ribbon Models
- Nucleic Acid Ladder Models
- Interpolation Algorithms
- Residue Atoms and Bonds
- Periodic Systems
Unit cells are a great way to investigate repeating structures and crystals. The above image was rendered in ChemDoodle 3D of the zeolite Si-O framework, MFI, propagated along the z-axis with exponential fogging using the standard Blinn-Phong shader.
Infinitely repeating chemistry
- Crystallographic Information Format
- Unit Cells and Extrapolated Supercells
ChemDoodle 3D is designed to perform everywhere for everyone
- Operating Systems
- High DPI Support
- Mobile Devices
- 3rd Party Integration
- Twitter Integration
- Continuously Developed
- Chemical Files
- Bitmap (Raster, Pixel) Images
- Web Components
Try ChemDoodle 3D before you buy
A free trial for ChemDoodle 3D lasts for 14 days with some features restricted. The trial is not an obligation and we require no identifying or financial information to start a trial. After 14 days, the trial will no longer open. Our free trials are only for evaluation purposes and any output from the trial will contain a watermark and is copyright of iChemLabs.
To start your trial, simply download ChemDoodle 3D for your operating system below, install and open it. Then accept the EULA. The next page will ask for a license code, instead click the Free Trial button to begin.
- Windows Vista/7/8/10+, macOS 10.11+ (El Capitan, Sierra, High Sierra, Mojave, Catalina or more recent), or Linux.
- A 64 bit system is required (all modern systems are 64 bit).
- ChemDoodle 3D requires OpenGL v2+ drivers.
- A minimum of 1GB of memory.