recipe nolb

NOn-Linear rigid Block NMA approach (NOLB) is a conceptually simple and computationally efficient method for non-linear normal mode analysis.

Homepage:

https://team.inria.fr/nano-d/software/nolb-normal-modes/

License:

All rights reserved. The academic version is free.

Recipe:

/nolb/meta.yaml

The key observation of the method is that the angular velocity of a residue can be interpreted as the result of an implicit force, such that the motion of the residue can be considered as a pure rotation about a certain center.

package nolb

(downloads) docker_nolb

versions:

1.9-0

requirements:

additional platforms:

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 nolb

and update with::

   mamba update nolb

To create a new environment, run:

mamba create --name myenvname nolb

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/nolb:<tag>

(see `nolb/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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