Centre for Molecular and Biomolecular Informatics Radboud University Nijmegen

For access to most of the Cheminformatics services listed below, participation in the Dutch academic Cheminformatics Consortium is required.
Some of these services are freely available for non-participants.

• Synthesis Planning
• Reaction and Structure Retrieval
• 3-D Structure Retrieval
• Modelling and Computational Chemistry
• Visualisation Tools and and Utilities
  

Programs and Databases

• Synthesis Planning:
  
  
  • LHASA, an expert system to assist organic chemists in the design of efficient routes to target molecules.
    
    
• Reaction and Structure Retrieval:
  
  
  • CrossFire, a chemical database system containing a very large database of compounds and their properties, reactions, and citations (including abstracts).
  • ISIS, a chemical information management system containing a compound database and several reaction databases.
    
    
• 3-D Structure Retrieval:
  
  
  • CSD, the Cambridge Crystallographic Database with programs ConQuest, Quest, Pluto, and Vista. X-ray and neutron diffraction studies on organic compounds, organo-metallic compounds and metal complexes.
  • ICSD, X-ray analyses of inorganic compounds. Searchable using CRYSTIN software from Hundt and Sievers, Univ. of Bonn, Germany or Hewat's WWW interface.
    
    
• Modelling and Computational Chemistry:
  
  
  • SYBYL, Tripos' MM/MD program with Basic, BioPolymer, Advanced Computation, Dynamics, Composer and QSAR/CoMFA Modules.
    
  • MOPAC, a general-purpose semiempirical molecular orbital package for the study of solid state and molecular structures and reactions, written by James J.P. Stewart.
    
    
• Visualisation Tools and Utilities:
  
  
  • Molden, a visualization program of molecular and electronic structures.
  • RasMol, a program for the visualization of proteins and nucleic acids.
  • Babel, a file format conversion program.
    
  • XMenu, a versatile file and session manager.