Surf these sites: AIMPAC -- software related to the Bader''s Atoms in Molecules Theory Carbohydrates -- Offers a number of free online services; focus is on carbohydrates. Site maintained a German Cancer Research Centre. GAMESS-UK -- This free program is derived from the original GAMESS code, but at present GAMESS-US and GAMESS-UK are independent programs. GAMESS-US -- The General Atomic and Molecular Electronic Structure System is a freely available general ab initio quantum chemistry package. Free graphics programs are also available for downloading. Gaussian Basis Set -- free download of many basis sets in different formats. MSI -- Molecular Simulations Inc. offers Cerius(2), Insight II, and Catalyst for molecular modeling and hypothesis generation. Most products are available for SGI workstations. One of the biggest commercial companies in this field. Molecular Model Kits -- Plastic molecular structure models for research and education in science, intended especially for biochemistry. Molecular Modelling Toolkit (MMTK) -- a library for molecular modelling applications. Molecular dynamics -- Contains an excellent primer for molecular dynamics with examples in Fortran, as well as some links. Particle-Surface Resources on the Internet -- Contrary to the title, also contains links to general molecular dynamics resources. Quantum Chemistry Program Exchange (QCPE) -- catalog of available software SCULPT -- A Windows NT application for interactive 3D visualization and manipulation of compounds. Handles 2D-3D conversion, solvent-accessible surfaces, 3D alignment. Interacts with MDL''s Chime plug-in for Netscape and Internet Explorer. The Center for Molecular Modeling -- several tutorials related to molecular modeling, software links, ... The Protein Data Bank (PDB) -- Archive of experimentally-determined, biological macromolecule 3-D structures from the Brookhaven National Laboratory. Tripos -- Offers a suite of programs for molecular modeling and analysis; the package SYBYL offers a variety of modeling and visualization capabilities. One of the biggest commercial companies in this field. WHAT IF -- Protein structure analysis software for Linux, SGI/IRIX, Windows NT. Performs mutant prediction, structure verification, molecular visualization. WWW Computational Chemistry Resources -- This page contains a large collection of links related to molecular modelling.
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