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.
| Version: | 3.3.6 |
| Depends: | fingerprint |
| Imports: | rJava, rcdklibs (≥ 1.5.13), methods, png, iterators, itertools |
| Suggests: | xtable, RUnit |
| Published: | 2016-06-02 |
| Author: | Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre] |
| Maintainer: | Zachary Charlop-Powers <zach.charlop.powers at gmail.com> |
| BugReports: | NA |
| License: | LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL] |
| URL: | NA |
| NeedsCompilation: | no |
| SystemRequirements: | Java JDK 1.8 or higher |
| Citation: | rcdk citation info |
| Materials: | NEWS ChangeLog |
| In views: | ChemPhys |
| CRAN checks: | rcdk results |
| Reference manual: | rcdk.pdf |
| Vignettes: |
rcdk Tutorial |
| Package source: | rcdk_3.3.6.tar.gz |
| Windows binaries: | r-devel: rcdk_3.3.6.zip, r-release: rcdk_3.3.6.zip, r-oldrel: rcdk_3.3.6.zip |
| OS X Mavericks binaries: | r-release: rcdk_3.3.2.tgz, r-oldrel: rcdk_3.3.2.tgz |
| Old sources: | rcdk archive |
| Reverse depends: | iqspr, SimuChemPC |
| Reverse imports: | RxnSim |
| Reverse suggests: | webchem |