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Computing Facilities

The Student Learning Center has 16 Dell computers for word processing, email and internet access. The PCs are connected to the campus computing network for access to Blackboard, Banner and other technology services that students may require. The Student Learning Center can be reserved by faculty in advance for class use and software can be loaded for instructional purposes. As molecular modeling activities and chemoinformatics expand, the use of both web based programs and licensed software have increased the demand for this facility. The computers are regularly maintained by the Department.

In the picture above, students enrolled in one of the organic chemistry laboratory sections are seen completing exercises in the Student Learning Center. Open during normal class hours, the Student Learning Center serves as a center for tutoring and collaborative studying. In addition, there is a wireless network within Turner Hall for students who may have their own laptops or other mobile devices.

With grant support from the National Science Foundation, the Computational Chemistry Laboratory was recently established and has 20 Dell Optiplex GX620 (2 GB RAM, 160 GB HD) workstations. The workstations are networked to a PQS QS4-2600S-O64D 4-node cluster (server) using X-Windows and are equipped with chemistry software for structure drawing, molecular modeling, data analysis, and visualization. All computers are connected to the campus network and the Internet through 100 Mbps Ethernet connections. The PQS Linux Server (8 GB RAM, 4X200GB HD for storage) is equipped with Gaussian03, Spartan04 + Q-Chem,PQSmol and additional software for use in biochemistry, biology, chemistry, physics and other scientific disciplines.

The additional software includes:

Sciences/Biology - EMBOSS, ggibbs, ncbi-tools, readseq, sim4.

Sciences/Chemistry – arka, bkchem, chemtool, gabedit, garlic, gchempaint, gcrystal, gcu, gdis, ghemical gp, gromacs, kmovisto, molrender, mpqc, openbabel, pymol, viewmol, xdrawchem,Xentark, xmakemol Xuru, Xykron.

Sciences/Other – drawmap, grass, libgdal0, libgrass5; bc, drgeo, GiNaC-utils grpn gsl-progs gtkgraph labplot LinPacker mathplot maxima octave pychart Rbase scilab xaos xlispstat, fityk gnuplot grace gtkwave OpenDX RLPlot scigraphica spice, gperiodic grany).

To complement the two computing facilities, there is a mobile computing unit consisting of 14-laptops (12 Dell Latitude 630 and 2 Dell 1500 Inspiron) for student training and demonstrations. The mobile unit is available for use during lecture or laboratory periods for junior and senior level courses.

Students can also go to the Harvey Library for computer facilities. Located on the fifth floor of the library, the Academic Technology Mall (ATM) has facilities for student and faculty use. Internet access is available in all classrooms and laboratories in Turner Hall. A Local Area Network (LAN) is used for printing and resource sharing.

CHEMPQS Server http://www.pqs-chem.com

ChemPQS Server

Computational Chemistry Laboratory

Working in the Computational
Chemistry Laboratory