Molecular Computational Core Facility
Instruments, Computer Software & Materials
Server Environment:
Server Environment:
- Altix 3700 64-node cluster, 64 GB ram
- Altix 4800 64-node cluster, 64 GB ram
- Seagate 12TB NAS fileserver
Linux & OSX Integrated Machines:
- 2 Dell PC’s (Linux, 2-core, NVIDIA)
- 2 HP PC's (Linux, 4-core, NVIDIA)
- 1 generic PC (Linux, 16-core, NVIDIA)
- 1 Mac G5 (OSX, NVIDIA)
Peripherals:
- Digital display projectors
- Brother MFC 9840 Printer
- HP3200dn printer
- Xerox 750P printer
- DVD-R/RW units
Software:
- VMD/NAMD (UIUC)
- Amber 10 (and suites, therein, Scripps)
- GROMACS 4.0 (open source)
- GRASP
- Gaussian 2009/GaussView (all UNIX binaries)
- MM3-MM4 (Allinger)
- Campari (Washington University)
- Rosetta (Univ. of Washington)
- AutoDock, Dock (UCSF)
- GOLD Docking Suite (Cambridge Crystallographic)
- FELIX (NMR)
- Tripos Sybyl suite (Linux version 8.1, 99 seats) with modules GASP, Adv.Comp., Dynamics, Xdev, QSAR, Adv. QSAR (CoMFA), Unity 4.4, Biopolymer (with ProTable and Composer), Molcad, NMR, NMR Conversion AMIDE 1.0.1 (UCLA dynamic imaging manipulation & processing)
- Full suites of: Prism (GraphPad), Kell (Biosoft), IgorPro, Adobe, MacroMedia, CambridgeSoft, and Microsoft, amongst others.
