A format plugin to make a Universe of MDAnalysis.
version 0.7
- python^3.9
- GenIce2^2.2.5.2
- MDAnalysis*
% pip install genice2-mdanalysis
Write the ice structure in various file formats with the help of MDAnalysis.
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 supported file types are listed in the
[MDAnalysis web page](https://docs.mdanalysis.org/stable/documentation_pages/coordinates/init.html#supported-coordinate-formats).
If the file name is not specified, the Universe instance of
MDAnalysis is written to the stdout in the python pickle
format.
% make test