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BIDS Bath Information and Data Services - providing bibliographic data and full text services for higher education and research.
PDB Protein Data Bank mirror site at Cambridge Crystallographic Data Centre. An archive of experimentally determined three-dimensional structures of biological macromolecules, serving a global community of researchers, educators, and students
MD code programs from "Computer Simulations of Liquids", by M. P. Allen and D. J. Tildesley (Clarendon Press, Oxford, 1987 (hardback), 1989 (paperback))
RSC The Royal Society of Chemistry is the Learned Society for chemistry and the Professional Body for chemists in the UK with 46,000 members worldwide.
PubMed Produced by the National Librarary of Medicine in the USA, PubMed is NLM's search service to access the 9 million citations in MEDLINE and Pre-MEDLINE (with links to participating on-line journals), and other related databases.
BioMed Net The World Wide Club for the Biological and Medical Community
CSD Home pages of the Cambridge Crystallographic Data Centre. The CCDC builds and maintains the Cambridge Structural Database (CSD), the largest searchable database of experimentally determined crystal structures.
SWISS-PROT The World Wide Web (WWW) molecular biology server of the Geneva University Hospital and the University of Geneva. This server is dedicated to the analysis of protein and nucleic acid sequences.
MC FTP Archive An FTP site based at Manchester Computing.
CCP The Collaborative Computational Projects (CCPs), assist universities in developing, maintaining and distributing computer programs and promoting the best computational methods.
UMIST Library search engine for the UMIST library catalogue
EPCC Edinburgh Parallel Computing Centre, home to the national service Cray T3D and T3E facilities.
Accelrys a software company that provides scientific software, research services, and information technology to the pharmaceutical, chemical, biotechnology, and academic markets.
MGMS The Molecular Graphics and Modelling Society home pages.
CCL Home pages of the Computational Chemistry List, an independent electronic discussion forum for chemistry researchers and educators from around the world.
ACSWeb Homepages for the American Chemical Society
ChemWeb The World Wide Club for the Chemical Community

Manuals

latex The text formatting and typesetting package
gnuplot manual for gnuplot, an interactive plotting program
molden MOLDEN is an excellent package for displaying molecular structures and densities, tuned to the GAMESS-UK and GAUSSIAN packages.
rasmol RasMol is a molecular graphics program intended for the visualisation of proteins, nucleic acids and small molecules. The program is aimed at display, teaching and generation of publication quality images.
molscript MolScript is a program for creating molecular graphics in the form of PostScript plot files. Can also produce input for the 'render' program, to give photorealistic images.
html reference manual for the hypertext markup language used in web page design.
xmgr xmgr (ACE/gr) is an XY plotting tool for workstations or X-terminals using X.
raster3d The Raster3D molecular graphics package consists of a core program (render) and a number of ancillary programs which produce input files for rendering from Brookhaven PDB files of atomic coordinates. Raster3D can also render images composed using version 1.4 of Molscript
unix: a two page (i.e. very short) summary and introduction to unix and the vi editor.
C This series contains a set of tutorials that help you to learn about the C programming language. These tutorials start with the assumption that you know a procedural language like Pascal or Fortran already, and simply want to map that knowledge to C.
gimp GIMP is an acronym for GNU Image Manipulation Program. It is a freely distributed piece of software suitable for such tasks as photo retouching, image composition and image authoring. It is an extremely capable piece of software with many capabilities. It can be used as a simple paint program, a expert quality photo retouching program, an online batch processing system, a mass production image renderer, a image format converter, etc. GIMP is extremely expandedable and extensible. It is designed to be augmented with plugins and extensions to do just about anything. The advanced scripting interface allows everything from the simplest task to the most complex image manipulation procedures to be easily scripted.
amber AMBER refers to two things: a molecular mechanical force field for the simulation of biomolecules (which is in general use in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.
gopenmol gOpenMol can be used for the analysis and display of molecular dynamics trajectories and the display of molecular orbitals, electron densities and electrostatic potentials from programs like Gaussian.
charmm CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations.
macromodel An Integrated Software System for Modeling Organic and Bioorganic Molecules Using Molecular Mechanics.
chemfinder The chemfinder webserver is a chemical database, working from a single master list of chemical compounds, allowing you to find the information you want faster.
numerical recipes A complete copy of Numerical Recipes in Fortran, The Art of Scientific Computing Second Edition, online

Online Journals


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last modified: 11th March 2004