michellab / packages / biosimspace 2020.1.0

An interoperable Python framework for biomolecular simulation.

Installers

Info: This package contains files in non-standard labels.

conda install

  • linux-64  v2020.1.0
  • osx-64  v2020.1.0
To install this package with conda run one of the following:
conda install -c michellab biosimspace
conda install -c michellab/label/workshop biosimspace
conda install -c michellab/label/dev biosimspace
conda install -c michellab/label/deprecated biosimspace

Description

BioSimSpace is an interoperable Python framework for biomolecular simulation. With it you can:

  • Write robust and portable biomolecular workflow components that work on different hardware, with different software packages, and that can be run in different ways, e.g. command-line, Jupyter.
  • Interact with molecular-simulation processes in real time.

To install:

conda install -c conda-forge -c omnia -c michellab biosimspace

To install the development version:

conda install -c conda-forge -c omnia -c michellab/label/dev biosimspace

When updating the development version it is generally advised to update Sire at the same time:

conda install -c conda-forge -c omnia -c michellab/label/dev biosimspace sire

Since BioSimSpace has many dependencies, an install or update might not always give you the most recent version. If this is the case, use, e.g.:

conda install -c conda-forge -c omnia -c michellab/label/dev biosimspace --all


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