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AMSOL
[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]
BALLROOM
[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]
CCP4
[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]
Chemfont
[Bio-Rad Laboratories] A Windows font package that simplifies the entry of chemical equations.
[more info][11123]
Chemical Calculator
[RCN] This program calculates the amounts of reagents to use when making solutions.
[more info][11124]
ChemSymphony
[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]
CNS
[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]
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]
GAMESS
[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]
Gepasi
[NCGR] This is for simulating systems kinetics of chemical and biochemical reactions.
[more info][11133]
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Isoeff
[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]
Linux for Chemists
A virtual library of Linux software links in the areas of chemistry, biochemistry, computational biology and bioinformatics.
[more info][13754]
Linux4Chemistry
Contains numerous, annotated links to Linux software for chemistry. Also included is whether the software is free, shareware, or commercial.
[more info][10349]
Periodic Table
[Computational Chemistry List] This electronic periodic table serves as a supplement to learning the properties of the elements.
[more info][11140]
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]
TOXCHEM+ Version 2
[Pharmaceuticalonline] This software will serve to estimate and report on secondary emissions from wastewater systems.
[more info][11145]