Package: ChemmineOB
Type: Package
Title: R interface to a subset of OpenBabel functionalities
Date: 2023-10-18
Version: 1.40.0
Author: Kevin Horan, Thomas Girke
Maintainer: Thomas Girke <thomas.girke@ucr.edu>
Suggests: ChemmineR, BiocStyle, knitr, knitrBootstrap, BiocManager,
        rmarkdown,RUnit
Imports: BiocGenerics, zlibbioc, Rcpp (>= 0.11.0)
Description: ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.
License: file LICENSE
Depends: R (>= 2.15.1), methods
SystemRequirements: OpenBabel (>= 3.0.0) with headers
        (http://openbabel.org). Eigen3 with headers.
Enhances: ChemmineR (>= 2.13.0)
URL: https://github.com/girke-lab/ChemmineOB
biocViews: Cheminformatics, BiomedicalInformatics, Pharmacogenetics,
        Pharmacogenomics, MicrotitrePlateAssay, CellBasedAssays,
        Visualization, Infrastructure, DataImport, Clustering,
        Proteomics, Metabolomics
VignetteBuilder: knitr
LinkingTo: BH, Rcpp, zlibbioc
git_url: https://git.bioconductor.org/packages/ChemmineOB
git_branch: RELEASE_3_18
git_last_commit: 56dd1da
git_last_commit_date: 2023-10-24
Date/Publication: 2023-10-24
NeedsCompilation: yes
Packaged: 2023-10-24 20:39:53 UTC; biocbuild
Built: R 4.3.1; x86_64-apple-darwin22.6.0; 2023-10-28 11:38:49 UTC; unix
