Computational & Web Resources
Cell & Molecular Biology
Genetics & Evolution
Life Sciences (Other)
| Opens resource in a 2nd browser window.
[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.
[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.
[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.
[Bio-Rad Laboratories] A Windows font package that simplifies the entry of chemical equations.
[RCN] This program calculates the amounts of reagents to use when making solutions.
[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.
[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.
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.
[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.
[NCGR] This is for simulating systems kinetics of chemical and biochemical reactions.
Top of Page
[Tech. Univ. of Lodz] Suite of programs for calculations of kinetic or equilibrium isotope effects using results of major quantum mechanical packages.
Linux for Chemists
A virtual library of Linux software links in the areas of chemistry, biochemistry, computational biology and bioinformatics.
Contains numerous, annotated links to Linux software for chemistry. Also included is whether the software is free, shareware, or commercial.
[Computational Chemistry List] This electronic periodic table serves as a supplement to learning the properties of the elements.
[Pharmaceuticalonline] Program for hazard and operability, failure modes and effect analysis, and preliminary hazards analysis applications. (From the homepage, click on "Registration").
TOXCHEM+ Version 2
[Pharmaceuticalonline] This software will serve to estimate and report on secondary emissions from wastewater systems.