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    Electronic Resource
    Electronic Resource
    HELP: a Fortran V computer program for obtaining the Cartesian coordinates of a single molecule from its chemical formula (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 129-132 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Fortran V computer program for obtaining the atomic coordinates of a single molecule from its chemical formula is presented. The program has been tested in a UNIVAC 1100 computer. The program assigns a Cartesian system to each skeletal bond and assigns each atom to its proper Cartesian system. The program lists the various types of bonds of each atom and, given the torsion angles, computes the conformation of the whole molecule. Torsion angle and atom numbering is automated by the program. Cyclic structures can also be represented. At present molecules containing hydrogen, carbon, oxygen, phosphorus, nitrogen, sulfur, silicon and halogen atoms can be represented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882011571
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