- recipe bioconductor-chemmineob
R interface to a subset of OpenBabel functionalities
- Homepage:
https://bioconductor.org/packages/3.16/bioc/html/ChemmineOB.html
- License:
file LICENSE
- Recipe:
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.
- package bioconductor-chemmineob¶
-
- Versions:
1.36.0-0
- Depends:
bioconductor-biocgenerics
>=0.44.0,<0.45.0
bioconductor-zlibbioc
>=1.44.0,<1.45.0
libblas
>=3.9.0,<4.0a0
libgcc-ng
>=12
liblapack
>=3.9.0,<4.0a0
libstdcxx-ng
>=12
openbabel
>=3
r-base
>=4.2,<4.3.0a0
r-rcpp
>=0.11.0
- Required By:
Installation
With an activated Bioconda channel (see set-up-channels), install with:
conda install bioconductor-chemmineob
and update with:
conda update bioconductor-chemmineob
or use the docker container:
docker pull quay.io/biocontainers/bioconductor-chemmineob:<tag>
(see bioconductor-chemmineob/tags for valid values for
<tag>
)
Download stats¶
Link to this page¶
Render an badge with the following MarkDown:
[](http://bioconda.github.io/recipes/bioconductor-chemmineob/README.html)