Modelling Software
N.B. These pages are under almost continual re-construction! To stay current on the state of the software, subscribe to the X-rayLab email list.The old software pages are still available here, but may not be kept up to date.
Click on a link below to see the software within that category
- All software
- FOSS software (What is FOSS?)
- Academic licensed software
- Proprietary software
- Unknown licensed software
- Crystallography
- Miscellaneous
- Modelling
- Molecular Biology and Biochemistry
Click on program name for more information
| Program | License type | Web page | Manual | Versions | Operating systems | /prog/setup name | |
|---|---|---|---|---|---|---|---|
| Modelling | Modelling | ||||||
| 3D-DOCK | unknown checking | Web | Manual | 2, | GNU/Linux | N/A | |
| AutoDock | academic | Web | Manual | 2.4? | GNU/Linux IRIX | autodock | |
| CHARMM | proprietary | Web | Manual | 31b1, 30b1, 30 | GNU/Linux IRIX | charmm | |
| FTDock | FOSS | Web | Manual | 2, 1 | GNU/Linux | ftdock | |
| GROMACS | FOSS | Web | Manual | 3.2.1-1 | GNU/Linux | gromacs | |
| HEX | unknown checking | Web | Manual | 3.0 | GNU/Linux IRIX | hex | |
| MMTK | FOSS | Web | Manual | 2.0 | GNU/Linux IRIX | N/A | |
| NAMD | FOSS | Web | Manual | 2.6b1, 2.5b1, 2.4b2 | GNU/Linux IRIX | namd | |
| NAMOT | FOSS | Web | None | 2 | IRIX | namot2 | |
| OpenBabel | FOSS | Web | Manual | 2.0.2 | GNU/Linux | openbabel | |
| Quanta | proprietary | Web | Manual | 2006, | IRIX | quanta2000 | |
| SYBYL | proprietary | Web | Manual | 7.3, 7.1, 7.0, 6.7, 6.6 | GNU/Linux IRIX | sybyl | |
| UNICHEM | unknown checking | Web | Manual | 4.1, 5.0 | IRIX | unichem | |