recipe maxit

MAXIT assists in the processing and curation of macromolecular structure data.

Homepage:

https://sw-tools.rcsb.org/apps/MAXIT

Documentation:

https://sw-tools.rcsb.org/apps/MAXIT/README-source

License:

OTHER / RCSB PDB Software License

Recipe:

/maxit/meta.yaml

MAXIT assists in the processing and curation of macromolecular structure data. MAXIT can:

- Read and write PDB and mmCIF format files, and translate between file formats. - Perform consistency checks on coordinates, sequence, and crystal data. - Automatically construct, transform, and merge information between formats - Align residue numbering in the coordinates with the sequence - Reorder and rename atoms in standard and nonstandard residues and ligands according to the Chemical Component Dictionary - Assign ligands the same chain IDs as the adjacent polymers - Detect missing or additional atoms

package maxit

(downloads) docker_maxit

versions:

11.200-2,  11.200-1,  11.200-0

depends libgcc:

>=12

depends libstdcxx:

>=12

depends tcsh:

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 maxit

and update with::

   mamba update maxit

To create a new environment, run:

mamba create --name myenvname maxit

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/maxit:<tag>

(see `maxit/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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