Software Related Sites

• Advanced Algorithms for Parallel Molecular Dynamics: The program PMD
• Advanced Chemistry Development Developers of chemical property prediction software and spectroscopic databases
• AHSystems Group -- Chemistry and Physics software reseller
• AMBER -- Molecular Dynamics Program
• Apex-3D software info
• Artificial Life software
• Automatic Format conversion of Molecular Structure Files by Corina
• Basis Set library for ab initio programs
• Backbone-dependent rotamer library by Roland Dunbrack -- predicting sidechain conformations
• BIOSYM Software manuals on line
• Cambridge Analytical Derivatives Packages (CADPAC)
• Catalog of Molecular Graphics Packages
• CHARMm Manuals on line
• Chemfinder from Cambridge Scientific
• Chemical Structure Database
• Computer Animation Adds new dimensions to chemistry fundamentals
• Crystallography software
• DALI: Comparison of protein structures in 3D
• EMSL Ab Initio Benchmark Report
• EyeChem 1.0
• FANTOM - Solvation energy software
• FORTRAN-90 Tutorial
• GAMESS ab initio program, and information on Mark Gordon's Research Group
• GAMESS Users List
• GaussianXX benchmark results
• Graphics and animations in chemistry
• GRID, Re_View programs cor Molecular Modeling
• Guide to Available Mathematical Software (GAMS)
• Hingefind -- Algorithm to find and see protein domain movements.
• HINT (hydrophobic and hydrophilic interactions)
• HPCC National Software Exchange
• Java -- New Web browser which can even support Chemistry once installed.
• JCAMP-DX file reader (Dept. Chemistry UWI, Jamaica
• Linux Scientific Software
• Linux Chemistry Software
• MacroModel Home Page
• MacroModel mailing list
• MicroSimulations
• MidasPlus Molecular Modeling System on-line tutorial
• MOPAC93 and MOZYME by J.J.P.Stewart
• MSI - Molecular modeling, analysis and simulation for life and material sciences
• Molgen 3.0
• Molpro documentation
• Naccess v2.0 - Atomic solvent accessible areas
• NAMD -- high performance parallel molecular dynamics simulations software
• NIH Molecular Modeling Home Page (see also their Index Of Software.)
• NetLib -- Library of Numerical Public Domain Software
• Nucleic Acid Builder -- NAB from David Case Group
• ORTEP -- Plot program
• Annotated PDB File Listing
• PDBLib documentation, a C++ macromolecular class library
• Periodic -- Periodic Table database for the Mac
• PGPLOT -- Graphics Subroutine Library
• Pedro's Biomolecular Research Tool, Database relating Proteins Structures and Sequences PROCHECK program, its source for the VAX/VMS and the UNIX systems.
• Quantum Chemistry Packages -- List of available codes
• RASMOL
• SCARECROW Information
• Scientific Software Catalogue
• Schrodinger, Inc.'s -- electronic structure software
• SCOP database
• SCULPT -- minimization of potential energy in real time
• Simulated Annealing or Adaptive Simulated Annealing, by Lester Ingber
• Sketch & Fetch -- Application of Java to search chem. databases
• Symbolic Algebra Package -- Maple
• Symbolic Algebra Package -- MuPAD
• Synergy Software -- Terminal Emulators
• Tcl/Tk -- WWW resources for Tool Command Language
• Tripos, Inc. -- software products and services for compound research in pharmaceutical, biotechnological, and related organizations worldwide
• UNICHEM Home Page
• VMD -- graphical display and visualization of biomolecular systems
• Wavefunction
• WHATIF - sequence analysis package
• XMol
• XMol FAQ
• XMol User Guide

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