Project description

genice-cif

A GenIce plugin to import CIF file.

(version 0.2)

% make prepare

will install required packages via pip.

Install via pip.

% pip install genice_cif

Not supported.

To convert a local cif file to Gromacs format,

% genice cif[RHO.cif] > RHO.gro
Some zeolites share the network topology with low-density ices. If you want to retrieve a zeolite ITT structure from IZA structure database to prepare a low-density ice, try the following command:

% genice zeolite[ITT] > ITT.gro

% make test

These details have not been verified by PyPI

0.2.1

Sep 3, 2019

This version

0.2

Aug 19, 2019

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