Manuals

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  • ADRIANA.Code for calculating physicochemical, 2D, 3D, and surface-based molecular descriptors and properties
  • BioPath.Explore a database and retrieval system for the analysis of molecules, reactions and pathways involved in the endogenous metabolism
  • CORINA for generating 3D molecular models
  • CORINA_F CORINA interfaced to FlexX docking program
  • CORINA.direct Java-based graphical user interface for CORINA
  • CRAFT.Editor for modeling and evaluating the chemical reactivity, persistence and biodegradation of chemicals in the environment
  • CRAFT.Explorer for modeling and evaluating the chemical reactivity, persistence and biodegradation of chemicals in the environment
  • METIS for input and storage of information on metabolism and degradation reactions in databases
  • ROTATE for generating conformational ensembles
  • SONNIA for analyzing and modeling chemical data
  • Tools for representing, manipulating and processing chemical structure and reaction information
    • MN.2DCOOR for generating 2D coordinates in publishing quality
    • MN.CHECK for checking the structure integrity and normalizing the chemical state
    • MN.CONVERT for inter-converting 40 different chemical file formats
    • MN.IMAGE for converting chemical files into images
    • MN.PAGE for converting chemical files into formatted documents
    • MN.SPLIT, MN.JOIN, MN.MERGE for splitting a chemical file including n structuers into n files, joining n structure files to one single file or merging structure and data files into a single file
    • MN.STERGEN for enumerating stereoisomers
    • MN.TABLE for converting chemical files into spreadsheet compatible file formats
    • MN.TAUTOMER for enumerating tautomers