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[Osford Molecular Group] This software calculates the free energies of solvation in aqueous solutions, charge models for partial atomic charges of gas-phase molecules and solutes in alkane solvents, models for free energies of solvation, and partial atomic charges in water or in any organic solvent.

[more info][11118]

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[International School for Advanced Studies, Italy] A program that is a visualization tool for a set of particles. Particles are displayed as balls projected on two dimensions, and thousands of particles can be displayed.

[more info][11119]

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[Daresbury Laboratory] The CCP4 Program Suite is an integrated set of programs for protein crystallography. It is distributed in source form (mostly Fortran), supported for VMS and various Unix platforms.

[more info][11113]

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[Bio-Rad Laboratories] A Windows font package that simplifies the entry of chemical equations.

[more info][11123]

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Chemical Calculator
[RCN] This program calculates the amounts of reagents to use when making solutions.

[more info][11124]

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[Cherwell Scientific] ChemSymphony Beans provide a platform-neutral component architecture for developing and assembling network-aware solutions in chemistry for heterogenous hardware and operating system environments running over a corporate intranet or the internet.

[more info][11126]

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[CNSsolve] Crstallography & NMR System are the result of an international collaboration toward designing a flexible multi-level hierarchical approach for the most commonly used algorithms in macromolecular structure determination.

[more info][11128]

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Ftrees: Feature Trees
[SmithKline Beecham Pharmaceuticals R & D] A kind of descriptor for molecular similarity and diversity analysis that uses a tree structure to represent its major chemical building blocks and conformation.

[more info][11131]

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[Iowa State Univ.] A program for ab initio quantum chemistry. Briefly, GAMESS can compute wave functions such as RHF, ROHF, UHF, GVB, and MCSCF; with CI and MP2 energy corrections available.

[more info][11132]

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[NCGR] This is for simulating systems kinetics of chemical and biochemical reactions.

[more info][11133]

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[Tech. Univ. of Lodz] Suite of programs for calculations of kinetic or equilibrium isotope effects using results of major quantum mechanical packages.

[more info][11135]

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Linux for Chemists
A virtual library of Linux software links in the areas of chemistry, biochemistry, computational biology and bioinformatics.

[more info][13754]

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Contains numerous, annotated links to Linux software for chemistry. Also included is whether the software is free, shareware, or commercial.

[more info][10349]

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Periodic Table
[Computational Chemistry List] This electronic periodic table serves as a supplement to learning the properties of the elements.

[more info][11140]

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PHA-Pro 5
[Pharmaceuticalonline] Program for hazard and operability, failure modes and effect analysis, and preliminary hazards analysis applications. (From the homepage, click on “Registration”).

[more info][11141]

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TOXCHEM+ Version 2
[Pharmaceuticalonline] This software will serve to estimate and report on secondary emissions from wastewater systems.

[more info][11145]