About mdanalysis
Home: http://www.mdanalysis.org
Package license: GPLv2
Feedstock license: BSD 3-Clause
Summary: An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
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.
Nightly Preview builds
This is a repo of conda-build from the current development version of MDAnalysis. The mdanalysis package depends on other packages from the conda-forge channel.
Current build status
Current release info
Installing mdanalysis
Installing mdanalysis
from the kain88-de
channel can be achieved by adding kain88-de
to your channels with:
conda config --add channels kain88-de conda-forge
Once the kain88-de and conda-forge
channels has been enabled, mdanalysis
can be installed with:
conda install mdanalysis
It is possible to list all of the versions of mdanalysis
available on your platform with:
conda search mdanalysis --channel kain88-de
Updating mdanalysis-nightly
If you would like to improve the mdanalysis recipe or build a new
package version, please fork this repository and submit a PR. Upon submission,
your changes will be run on the appropriate platforms to give the reviewer an
opportunity to confirm that the changes result in a successful build. Once
merged, the recipe will be re-built and uploaded automatically to the
kain88-de
channel, whereupon the built conda packages will be available for
everybody to install and use from the kain88-de
channel.
In order to produce a uniquely identifiable distribution:
- If the version of a package is not being increased, please add or increase
the
build/number
. - If the version of a package is being increased, please remember to return
the
build/number
back to 0.