- recipe msmetaenhancer
MSMetaEnhancer is a Python tool that adds more annotations (e.g. SMILES, InChI, CAS number) to MSP files.
- Homepage:
- Documentation:
- License:
MIT / MIT
- Recipe:
- Links:
biotools: msmetaenhancer, doi: 10.21105/joss.04494
- package msmetaenhancer¶
- versions:
0.4.0-0,0.3.0-1,0.3.0-0,0.2.5-0,0.2.4-1,0.2.4-0,0.2.3-1,0.2.3-0,0.2.2-0,0.4.0-0,0.3.0-1,0.3.0-0,0.2.5-0,0.2.4-1,0.2.4-0,0.2.3-1,0.2.3-0,0.2.2-0,0.2.1-0,0.2.0-0,0.1.3-1,0.1.3-0,0.1.2-0,0.1.1-0,0.1.0-0- depends aiocircuitbreaker:
- depends aiohttp:
- depends asyncstdlib:
- depends frozendict:
- depends matchms:
- depends multidict:
- depends openpyxl:
- depends pandas:
- depends python:
>=3.9- depends rdkit:
- depends requests:
- depends scipy:
- depends tabulate:
- depends twine:
- 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 msmetaenhancer and update with:: mamba update msmetaenhancer
To create a new environment, run:
mamba create --name myenvname msmetaenhancer
with
myenvnamebeing 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/msmetaenhancer:<tag> (see `msmetaenhancer/tags`_ for valid values for ``<tag>``)
Download stats¶
Link to this page¶
Render an 
badge with the following MarkDown:
[](http://bioconda.github.io/recipes/msmetaenhancer/README.html)
