PageRenderTime 81ms CodeModel.GetById 40ms app.highlight 0ms RepoModel.GetById 40ms app.codeStats 0ms

/rcdk/DESCRIPTION

http://github.com/rajarshi/cdkr
#! | 26 lines | 26 code | 0 blank | 0 comment | 0 complexity | d3123ae295a7f10c766adfcacb5b2fb6 MD5 | raw file
 1Package: rcdk
 2Version: 3.3.7
 3Date: 2016-08-08
 4Title: Interface to the CDK Libraries
 5Authors@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'))
 7Depends:
 8    fingerprint
 9Imports:
10    rJava,
11    rcdklibs (>= 1.5.13),
12    methods,
13    png,
14    iterators,
15    itertools
16Suggests:
17    xtable,
18    RUnit
19SystemRequirements:
20  Java JDK 1.8 or higher
21License: LGPL
22LazyLoad: yes
23Description: 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.