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/rcdk/DESCRIPTION

http://github.com/rajarshi/cdkr
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  1. Package: rcdk
  2. Version: 3.3.7
  3. Date: 2016-08-08
  4. Title: Interface to the CDK Libraries
  5. Authors@R: c(person('Rajarshi', 'Guha', role=c('aut',"cph"), email='rajarshi.guha@gmail.com'),
  6. person('Zachary', 'Charlop-Powers', role=c('cre'), email='zach.charlop.powers@gmail.com'))
  7. Depends:
  8. fingerprint
  9. Imports:
  10. rJava,
  11. rcdklibs (>= 1.5.13),
  12. methods,
  13. png,
  14. iterators,
  15. itertools
  16. Suggests:
  17. xtable,
  18. RUnit
  19. SystemRequirements:
  20. Java JDK 1.8 or higher
  21. License: LGPL
  22. LazyLoad: yes
  23. Description: Allows the user to access functionality in the
  24. CDK, a Java framework for cheminformatics. This allows the user to load
  25. molecules, evaluate fingerprints, calculate molecular descriptors and so on.
  26. In addition the CDK API allows the user to view structures in 2D.