A GenIce format plugin to make a Universe of MDAnalysis.
Project description
genice2-mdanalysis
A GenIce2 format plugin to make a Universe of MDAnalysis.
version 0.4
Requirements
- mdanalysis
- GenIce2>=2.1b0
Installation from PyPI
% pip install genice2-mdanalysis
Manual Installation
System-wide installation
% make install
Private installation
Copy the files in genice2_mdanalysis/formats/ into your local formats/ folder.
Usage
Usage:
% genice 1c -f mdanalysis > 1c.pickle
% genice 1c -f mdanalysis[1c.gro]
% genice 1c -f mdanalysis[1c.xtc]
Options:
filename The file name to be written. The file type is specified by the
suffix. All the [file types supported by MDAnalysis](https://docs.mdanalysis.org/stable/documentation_pages/coordinates/init.html)
are available.
If the file name is not specified, the Universe instance of
MDAnalysis is written to the stdout in the python pickle
format.
Test in place
% make test
Project details
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