recipe haddock_biobb

HADDOCK3 is the next generation integrative modelling software in the long-lasting HADDOCK project.

Homepage:

https://github.com/haddocking/haddock3

License:

APACHE / Apache Software License

Recipe:

/haddock_biobb/meta.yaml

HADDOCK3 is the next generation integrative modelling software in the long-lasting HADDOCK project. It represents a complete rethinking and rewriting of the HADDOCK2.X series, implementing a new way to interact with HADDOCK and offering new features to users who can now define custom workflows.

package haddock_biobb

versions:

3.0.4-0,  3.0.3-0,  3.0.2-0,  3.0.1-0,  3.0.0-0

depends biopython:

depends boost-cpp:

depends c-compiler:

depends cxx-compiler:

depends freesasa:

depends git:

depends jsonpickle:

depends kaleido-core:

depends libgcc-ng:

>=12

depends libstdcxx-ng:

>=12

depends numpy:

depends pandas:

depends pdb-tools:

depends pip:

depends plotly:

depends python:

>=3.12,<3.13.0a0

depends python_abi:

3.12.* *_cp312

depends pyyaml:

depends scipy:

depends toml:

depends tox:

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 haddock_biobb

and update with::

   mamba update haddock_biobb

To create a new environment, run:

mamba create --name myenvname haddock_biobb

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/haddock_biobb:<tag>

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

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Link to this page

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