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FOSS 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
- 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 |
| Crystallography |
Data processing |
| DPS | FOSS | Web | Manual | 2.0, 2, 1.31 | GNU/Linux IRIX | dps |
| Mosflm | FOSS | Web | Manual | 6.2.3, 6.2.2, 6.11, 6.10, 6.1 | GNU/Linux IRIX | mosflm |
| Structure determination |
| AMoRe | FOSS | None | Manual | 9, 8, 7, 10, old | GNU/Linux | amore |
| ARP/wARP | FOSS | Web | Manual | 6.1, | GNU/Linux IRIX | arp |
| CCP4 | FOSS | Web | Manual | 6.0.2, 6.0.1, 5.0.2, 5.0 | GNU/Linux IRIX | ccp4 |
| cctbx | FOSS | Web | Manual | 6.0.2, 6.0.1, 5.0.2, 5.0, 3.5 | GNU/Linux | ccp4i |
| Chooch | FOSS | Web | Manual | 5.0.1 | GNU/Linux | chooch |
| MAID | FOSS | Web | Manual | 27may05, | GNU/Linux IRIX | maid |
| MOLREP | FOSS | Web | Manual | 7.1, 7.0, 6.1 | GNU/Linux IRIX | molrep |
| phaser | FOSS | Web | Manual | 2.1.1 | GNU/Linux | phaser |
| Structure fitting |
| Coot | FOSS | Web | Manual | 0.1.3 | GNU/Linux | coot |
| Structure quality |
| Procheck | FOSS | Web | Manual | N/A | GNU/Linux | procheck |
| Miscellaneous |
Data Analysis |
| PAW | FOSS | Web | Manual | 2.12/22 | GNU/Linux IRIX | paw |
| Miscellaneous |
| /prog/setup | FOSS | Web | Manual | 1.59 | GNU/Linux IRIX | /prog/setup |
| ProgPorts | FOSS | Web | Manual | 10, 16, 18, jedi | GNU/Linux | progports |
| Modelling |
Structural analysis |
| APBS | FOSS | Web | Manual | 0.3.1 | GNU/Linux IRIX | apbs |
| Modelling |
| FTDock | FOSS | Web | Manual | 2, 1 | GNU/Linux | ftdock |
| GROMACS | FOSS | Web | Manual | 3.2.1-1 | GNU/Linux | gromacs |
| 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 |
| Visualization |
| CONSCRIPT | FOSS | Web | Manual | N/A | GNU/Linux IRIX | conscript |
| POVScript | FOSS | Web | Manual | 2.1.1, 1.3_rc2 | GNU/Linux | povscript |
| PyMOL | FOSS | Web | Manual | 0.99rc1, 0.98, 0.97fc, 0.97 | GNU/Linux | pymol |
| RASMOL | FOSS | Web | Manual | N/A | GNU/Linux | rasmol |
| Raster3d | FOSS | Web | Manual | 2.6b, | GNU/Linux IRIX | raster3d |
| TkRaster3D | FOSS | None | None | 2.5 | IRIX | tkraster3d |
| VMD | FOSS | Web | Manual | 1.8b2, 1.7.1, 1.7, 1.6.1 | GNU/Linux IRIX | vmd |
| Molecular Biology and Biochemistry |
Sequence plotting |
| Artemis | FOSS | Web | Manual | 4 | GNU/Linux IRIX | artemis |
| BOXSHADE | FOSS | Web | Manual | 3.31c | GNU/Linux IRIX | boxshade |
| Ultracentrifugation |
| Ultrascan | FOSS | Web | Manual | 4.1 | GNU/Linux IRIX | us |
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