/rcdk/DESCRIPTION
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- Package: rcdk
- Version: 3.3.7
- Date: 2016-08-08
- Title: Interface to the CDK Libraries
- Authors@R: c(person('Rajarshi', 'Guha', role=c('aut',"cph"), email='rajarshi.guha@gmail.com'),
- person('Zachary', 'Charlop-Powers', role=c('cre'), email='zach.charlop.powers@gmail.com'))
- Depends:
- fingerprint
- Imports:
- rJava,
- rcdklibs (>= 1.5.13),
- methods,
- png,
- iterators,
- itertools
- Suggests:
- xtable,
- RUnit
- SystemRequirements:
- Java JDK 1.8 or higher
- License: LGPL
- LazyLoad: yes
- Description: Allows the user to access functionality in the
- CDK, a Java framework for cheminformatics. This allows the user to load
- molecules, evaluate fingerprints, calculate molecular descriptors and so on.
- In addition the CDK API allows the user to view structures in 2D.