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A Python package for the handling and analysis of molecular simulations data.

copied from cf-staging / mdanalysis

Installers

Info: This package contains files in non-standard labels.
  • linux-ppc64le v2.6.1
  • osx-arm64 v2.6.1
  • linux-64 v2.6.1
  • linux-aarch64 v2.6.1
  • osx-64 v2.6.1
  • win-64 v2.6.1

conda install

To install this package run one of the following:
conda install -c conda-forge mdanalysis
conda install -c "conda-forge/label/broken" mdanalysis
conda install -c "conda-forge/label/cf201901" mdanalysis
conda install -c "conda-forge/label/cf202003" mdanalysis
conda install -c "conda-forge/label/gcc7" mdanalysis

Description

MDAnalysis is a Python library to analyze trajectories from molecular dynamics (MD) simulations. It can read and write most popular formats, and provides a flexible and fast framework for writing custom analysis through making the underlying data easily available as NumPy arrays.


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