STP1214

    Babel — A Tool for Converting Between Molecular Structural Data Formats

    Published: Jan 1994


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    Abstract

    A large number of file formats for molecular modeling are currently in existence. In order to facilitate conversion among these file formats a computer program known as Babel has been created. Babel and its main data structure the UMS (Universal Molecule Structure) are designed to allow easy addition of new file formats. This document describes the structure and operation of Babel and the UMS.

    Keywords:

    file conversion, molecular modeling, molecular structural data formats, molecular structure


    Author Information:

    Shah, AV

    Walters, WP

    Shah, R

    Dolata, DP
    University of Arizona, Tucson, AZ


    Paper ID: STP13233S

    Committee/Subcommittee: E49.30

    DOI: 10.1520/STP13233S


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