[![](https://readthedocs.org/projects/biobb-analysis/badge/?version=latest)](https://biobb-analysis.readthedocs.io/en/latest/?badge=latest)
[![](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](https://anaconda.org/bioconda/biobb_analysis)
[![](https://quay.io/repository/biocontainers/biobb_io/status)](https://quay.io/repository/biocontainers/biobb_analysis)
[![](https://www.singularity-hub.org/static/img/hosted-singularity--hub-%23e32929.svg)](https://singularity-hub.org/collections/2423)
[![](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)
# biobb_analysis
### Introduction
Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.
Biobb (BioExcel building blocks) packages are Python building blocks that
create new layer of compatibility and interoperability over popular
bioinformatics tools.
The latest documentation of this package can be found in our readthedocs site:
[latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/).
### Version
v3.0.0 2020.1
### Installation
Using PIP:
* Installation:
pip install "biobb_analysis>=3.0.0"
* Usage: [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html)
Using ANACONDA:
* Installation:
conda install -c bioconda "biobb_analysis>=3.0.0"
* Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html)
Using DOCKER:
* Installation:
docker pull quay.io/biocontainers/biobb_analysis:3.0.0--py_0
* Usage:
docker run quay.io/biocontainers/biobb_analysis:3.0.0--py_0 <command>
Using SINGULARITY:
**MacOS users**: it's strongly recommended to avoid Singularity and use **Docker** as containerization system.
* Installation:
singularity pull --name biobb_analysis.sif shub://bioexcel/biobb_analysis
* Usage:
singularity exec biobb_analysis.sif <command>
The command list and specification can be found at the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html).
### Copyright & Licensing
This software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).
* (c) 2015-2020 [Barcelona Supercomputing Center](https://www.bsc.es/)
* (c) 2015-2020 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
Licensed under the
[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.
![](https://bioexcel.eu/wp-content/uploads/2019/04/Bioexcell_logo_1080px_transp.png "Bioexcel")
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资源分类:Python库 所属语言:Python 资源全名:biobb_analysis-3.0.0.tar.gz 资源来源:官方 安装方法:https://lanzao.blog.csdn.net/article/details/101784059
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biobb_analysis-3.0.0.tar.gz (36个子文件)
biobb_analysis-3.0.0
PKG-INFO 4KB
setup.cfg 38B
biobb_analysis.egg-info
PKG-INFO 4KB
requires.txt 20B
SOURCES.txt 1KB
top_level.txt 15B
dependency_links.txt 1B
setup.py 1KB
biobb_analysis
gromacs
common.py 16KB
gmx_cluster.py 12KB
__init__.py 153B
gmx_trjconv_trj.py 9KB
gmx_rms.py 9KB
gmx_trjconv_str.py 9KB
gmx_rgyr.py 9KB
gmx_trjconv_str_ens.py 11KB
gmx_image.py 12KB
gmx_energy.py 9KB
test
__init__.py 0B
ambertools
common.py 13KB
cpptraj_convert.py 11KB
cpptraj_dry.py 11KB
cpptraj_mask.py 11KB
cpptraj_strip.py 11KB
cpptraj_slice.py 11KB
cpptraj_bfactor.py 12KB
cpptraj_rgyr.py 10KB
cpptraj_input.py 5KB
__init__.py 236B
cpptraj_image.py 11KB
cpptraj_average.py 11KB
cpptraj_rmsf.py 12KB
cpptraj_rms.py 11KB
cpptraj_snapshot.py 11KB
__init__.py 59B
README.md 3KB
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