The following exporter plugins are prepared for GenIce3 (install separately; compatibility may vary):
genice3-svg (pip install genice3-svg)
genice3-py3dmol (pip install genice3-py3dmol)
genice3-mdanalysis (pip install genice3-mdanalysis)
(List is maintained in EXTRA.yaml in the repository.)
unitcell directory. The cif2ice tool can help create lattice modules from CIF files (e.g. from the IZA structure database).exporter directory under the current working directory to add custom output formats.molecule directory in the current working directory (see Clathrate hydrates for an example guest plugin).Built-in unit cells and water/guest molecules live in the genice3 package (genice3/unitcell/, genice3/molecule/). For developers, the source code for each plugin is in the corresponding module file; the Unit cells and Water models / Guest molecules tables list the symbol names that correspond to those modules.
A plugin is found by its module name, so a second name for the same plugin is a second module that imports from the first. Poetry does not install symlinks, so this is how Ih and ice1h name one unit cell, and g and gromacs one exporter:
"""Alias for gromacs (Poetry does not install symlinks)."""
from genice3.exporter.gromacs import dump, dumps, format_desc, parse_options
alias_of = "gromacs"
The alias_of line keeps the alias out of the Output formats table, whose name column already lists every alias of a format.