recipe imods

toolkit to perform Normal Mode Analysis (NMA) in internal coordinates (IC) on both protein and nucleic acid atomic structures.

Homepage:

https://chaconlab.org/multiscale-simulations/imod

License:

OTHER / Copyright 2018 Chaconlab.org https://chaconlab.org/images/download/License.txt

Recipe:

/imods/meta.yaml

iMOD is an versatile toolkit to perform Normal Mode Analysis (NMA) in internal coordinates (IC) on both protein and nucleic acid atomic structures. Vibrational analysis, motion animations, morphing trajectories and Monte-Carlo simulations can be easily carried out at different scales of resolution using this toolkit.

package imods

(downloads) docker_imods

versions:

1.0.4-3,  1.0.4-2,  1.0.4-1,  1.0.4-0

depends arpack:

>=3.7.0,<3.7.1.0a0

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 imods

and update with::

   mamba update imods

To create a new environment, run:

mamba create --name myenvname imods

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/imods:<tag>

(see `imods/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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