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MOLCONV: A powerful interface program for converting molecule structure files between PC based modeling programs

✍ Scribed by Tamas E. Gunda


Publisher
Elsevier Science
Year
1990
Weight
490 KB
Volume
3
Category
Article
ISSN
0898-5529

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✦ Synopsis


A molecular input/output data file conversion utility for the IBM PC is presented. The program included on disk in this issue reads and writes the file format of CPSS, Alchemy, Sybyl, Molidea, Desktop MM, PCMODEL, MGP+ modeling software as well as Z-matrix, fractional X-ray and Cartesian coordinates. In addition to conversion, the molecules can be inspected and some geometric data can be calculated. Other utilities are also included.