Chemistry on the Mac
Whether you’re engaged in computational chemistry, x-ray crystallography, molecular dynamics, or quantum chemistry, Apple offers solutions that give you the computational power and capability to visualize and interpret results in a timely and meaningful manner.
The simulation of chemical reactions and complex molecular systems on desktop workstations and cluster computing systems is a growing trend. As commercial and open source chemistry software developers have embraced the Mac OS X platform, the growing selection of chemistry applications has enabled chemists to complete their entire workflow on the Mac.
3D Molecular Visualization
3D stereo modeling on the Mac Pro takes your graphics to a whole new dimension - literally. Advanced visualization plays an essential role in the study of macromolecular structure leading to drug discovery and design. With the latest developments in active 3D stereo graphics, scientists can substantially enhance their understanding of molecular function.
Key applications:
Other Disciplines
Listed below are commonly used Mac OS X applications that address the unique challenges presented by each of the disciplines in the field of chemistry.
X-Ray Crystallography
Key applications:
Quantum Chemistry
Key applications:
- Spartan by Wavefunction
- Gaussian 03 by Gaussian
- ADF by Scientific Computing & Modelling
- Gamess
Molecular Dynamics
Key applications:
Cheminformatics
Key applications:
- SciFinder
- DiscoveryGate
- Daylight Suite
- iBabel
- OECHEM by OpenEye
Virtual Screening/Databases
Key applications:
- FRED by OpenEye
- ROCS by OpenEye
- ChemTree by Golden Helix
- KDE by Inforsense
- MOE by Chemical Computing Group
- Dock
- JChem Base by ChemAxon
Molecular Graphics
Key applications:
- HyperChem by HyperCube
- ChemDraw by CambridgeSoft
- VIDA by OpenEye
- MarvinTools by ChemAxon
Ligand-based Design Workflow Whitepaper
This paper introduces a ligand-based approach to virtual screening based on a new method of describing molecular shape and chemistry as embodied in the application ROCS (Rapid Overlay of Chemical Structures) by OpenEye Scientific. Click here to download.
3D Stereo on a Mac
Learn how Apple technologies make it easy to set up your own 3D stereo analysis workstation.
On-demand Apple Seminar
ChemDraw and BioDraw for Mac OS X: High productivity tools for chemists and biologists
Upcoming Events
Visit Apple and our partners in Chemistry at the following related conferences this year:
- Drug Discovery and Development of Innovative Therapeutics (DDT)
August 6-9, 2007: Boston MA - American Chemical Society
August 19-23, 2007: Boston MA - Global Pharma R&D Summit
October 22-23, 2007: Boston MA
