STP1214: Babel — A Tool for Converting Between Molecular Structural Data Formats

    Shah, AV

    Walters, WP

    Shah, R

    Dolata, DP
    University of Arizona, Tucson, AZ

    Pages: 9    Published: Jan 1994


    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


    Paper ID: STP13233S

    Committee/Subcommittee: E49.30

    DOI: 10.1520/STP13233S


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