GenIce3

Plugins and extensions

Prepared exporter plugins

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.)

Custom plugins

• Unit cells: Place unit-cell plugins in a unitcell directory. The cif2ice tool can help create lattice modules from CIF files (e.g. from the IZA structure database).
• Exporters: Place exporter plugins in an exporter directory under the current working directory to add custom output formats.
• Molecules: Place water or guest molecule plugins in a molecule directory in the current working directory (see Clathrate hydrates for an example guest plugin).

Plugin source locations

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.

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