The Computational Core Facility at SCSB provides state-of-the-art computational resources to researchers and students who are in needs of extreme computing power. The power house of the Core is a 30 processor Linux cluster, which provides parallel-processing capabilities with total of 84 billions floating point operations per second, 40 GB of distributed memory and 1.6 TB of total storage space. The cluster also provides centralized file-server capabilities as well as a tape library with 400 GB of storage space to archive and secure data. In addition, the facility includes over 10 single and multi-processor workstations, which includes SGI O2s, Intel/AMD based dual processor Linux computers, laptops, PCs and Macs and it brings Core's total computing power to more than 120 gigaflops. The peripheral devices include scanner, printers, color printers and tape drives. All computing resources are connected to UTMB network, and thus other workstations within the campus can easily access the resources of the Core.

  1) Linux cluster: (, 30 Xeon 2.4, 3.2 GHz CPUs (RH 8.0)

  2) 5 Linux dual AMD 64 bit processor workstations (RH AS3 or RH WS3)

  3) 3 Dual Xeon (800MHz - 2 GHz processor workstations, RH 7 - 9)

  4) 3 P4 2.8 GHz single processor workstations (Fedora Core 2 - 4)

  5) 5 PC workstations (Windows 2000/XP)

  6) 2 SGI Indigo workstations. OS: IRIX 6.5.18 (R10K processors)

  7) 4 laptop PCs (Window 2000/XP)

  1) Xerox Phaser 8200DP Color Printer (networked at

  2) Epson Stylus Color 900N Color Printer (networked at

  3) ViewSonic Projector(Model PJ551)

  4) Microtek ScanMaker x12 USL Scanner

  5) WorkCentre™ Pro 416 B/W Leaser Printer (networked at

  6) Lexmark E322n B/W Leaser Printer (networked at


1)    Scientific Applications (In house and from outside):

GETAREA (Protein solvent accessible surface area calculation)

FANTOM (Protein energy refinement)

MASIA (Multiple aligned sequences investigation and analysis)

MPACK (Protein structure predication package)

PCPMer (Software tool for automated motif detections of a protein family)
(Automated NMR protein structure determination)

SDAP (Online Data mining of genomic databases for allergenic determinants)

InterProSurf (Online protein complex interfaces prediction)

SDAP (Online Data mining of genomic databases for allergenic determinants)


2)    Scientific Applications (general):

FFTW (Fast fourier transform C library)

LAPACK (Matrix solver math library)

ScaLAPACK (parallelized LAPACK)

ScientificPython (Math library written in Python)

Numerical Python (Fast array computing in Python)

AMBER (MD simulations for single and parallel processors)

FELIX (NMR data processing, floating license)

MatLab (Linux and PC, floating license) with Bioinformatics Toolbox etc.

DS ViewerPro 5.0 (3D visulization of molecular information and more)

Mathematica Mathematical tools (PC version)

InsightII (Molecular modeling tools from Accelrys)


3)    Programming Language

MPICH (parallel programming tool/FORTRAN)

LMPI (parallel programming tool library)

PVM (parallel programming tool)

POOMA (parallel programming tool/C++)

PGI Fortran/C/C++ (WS and Server 4.0)FORTRAN/77/90/95, C/C++, PERL/TK, JAVA .etc


4)    PC Software

FELIX (NMR data processing)

Mathematica Mathematical tools (PC version. Personal copy is available if you needed)

MatLab Mathematical tools (numerical etc) (PC version, floating license) with Bioinformatics Toolbox etc.

Sigma Plot (Personal copy is available if you needed).

StudioQuartet (Ulead software for movie making, 3D animation, DVD burning etc).

Adobe Creative Suite (The complete design environment for print and Web publishing)

DS ViewerPro 5.0 (3D visulization of molecular information and more)

Absoft Pro Fortran 7.5 (Fortran77/90, C/C++ Compilers and IMSL Math Lib for Window95/98/2000/XP)

PGI Fortran Compiler (Fortran77/90 C/C++ for XP)