MOLGEN 5.0, a Molecular Structure Generator

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Authors

  • Ralf Gugisch
  • Adalbert Kerber
  • Axel Kohnert
  • Reinhard Laue
  • Markus Meringer
  • Christoph Rücker
  • Alfred Wassermann
MOLGEN 5.x combines the efficiency of the molecular generator MOLGEN 3.5 and the flexibility of MOLGEN 4.x. To achieve this, the software was reimplemented based on a totally new concept. The most visible new features are fuzzy molecular formula input and explicit use of atom state patterns. We describe the version MOLGEN 5.0 of this new series.
Original languageEnglish
Title of host publicationAdvances in Mathematical Chemistry and Applications
EditorsSubhash C. Basak, Guillermo Restrepo, José L. Villaveces
Number of pages26
Volume1
Place of PublicationSharjah
PublisherBentham Science Publishers B.V.
Publication date2014
Pages113-138
ISBN (Print)978-1-60805-929-4
ISBN (Electronic)978-1-60805-928-7
DOIs
Publication statusPublished - 2014