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NMR Computer Facilities
NMR and structural modelling is very computer intensive and we have access to a range of computers and programmes. At the moment we are changing to using Linux workstations equipped with VMWare.
Workstations
- 3 SGI 02 computers running IRIX 6.X for the display of spectra and molecular modelling.
- 3 SGI Indy workstation for spectra display and processing running IRIX 5.3. One of these is equipped with CrystalEyes stereoscopic shutter glasses for the display of molecules in 3D.
- 3 Athlon 1.4GHz Linux workstation running Mandrake 8.0 for spectra processing and display. It is intended to equip these with dual head displays and VMWare for access to word processing and office software.
- 2 PC for office software, graph plotting etc.
- 1 SGI Origin 200 server with 4 R10000 processors running under IRIX 6.5 for processor intensive molecular mechanics and spectral processing applications.
- We also have access to the schools 8 processor Compaq Alpha compute server.
Software
- VNMR 6.1b/c (Sun and SGI)
- NMRPipe
- XPLOR/CNS/XPLOR-NIH
- XEASY/PROSA/SPSCAN/MOLMOL/DYANA
- NMRView
- Insight II from MSI
- Felix 2.3/95 from MSI
- Povray
- DINO
- Molscript 1.4/2.X
- Raster3D
- Spock
- Amber 5
- Maple
- Gamma
- Matlab
- Model Free suite from Art Palmer
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