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Software Related Sites The following are sites related to software that may be of interest to computational chemists: 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 ArgusLab -- Molecular Modeling Software 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 Bio Online -- Biopharm Industry Info and Online Store for Life Sci Software 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 ChemSymphony - Java and JavaBeans for Chemistry 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 gNMR for NMR simulation 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 Schrodinger, Inc.'s -- electronic structure software Scientific Software Catalogue 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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