recipe dligand2

DLIGAND2 is a knowledge-based method to predict protein-ligand binding affinity based on a distance-scaled, finite, ideal-gas reference (DFIRE) state.

Homepage:

https://github.com/sysu-yanglab/DLIGAND2

License:

MIT / MIT

Recipe:

/dligand2/meta.yaml

package dligand2

(downloads) docker_dligand2

versions:

0.1.0-4,  0.1.0-3,  0.1.0-2,  0.1.0-1,  0.1.0-0

depends libgcc-ng:

>=12

depends libstdcxx-ng:

>=12

requirements:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install dligand2

and update with::

   mamba update dligand2

To create a new environment, run:

mamba create --name myenvname dligand2

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

   docker pull quay.io/biocontainers/dligand2:<tag>

(see `dligand2/tags`_ for valid values for ``<tag>``)

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Link to this page

Render an install-with-bioconda badge with the following MarkDown:

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