recipe cfm

Tools for applying Competitive Fragmentation Modeling (CFM) to spectrum prediction and metabolite identification tasks, as well as a tools for fragment generation and peak annotation.

Homepage:

https://sourceforge.net/p/cfm-id/wiki/Home/

License:

GPL-2

Recipe:

/cfm/meta.yaml

package cfm

(downloads) docker_cfm

versions:

33-6,  33-5,  33-4,  33-3,  33-2,  33-1,  33-0

depends boost-cpp:

>=1.68.0,<1.68.1.0a0

depends libgcc-ng:

>=12

depends liblbfgs:

>=1.10,<1.11.0a0

depends libstdcxx-ng:

>=12

depends lp_solve:

5.5.*

depends mpich:

>=4.1.1,<5.0a0

depends rdkit:

2018.09.1

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 cfm

and update with::

   mamba update cfm

To create a new environment, run:

mamba create --name myenvname cfm

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/cfm:<tag>

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

Download stats

Link to this page

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

[![install with bioconda](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](http://bioconda.github.io/recipes/cfm/README.html)