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CIF reader plugin for GenIce.

Project description


A GenIce plugin to import CIF file.

(version 0.2.1)


% make prepare

will install required packages via pip.

  • cif2ice>=0.2.2
  • GenIce>=0.25


System-wide installation

Install via pip.

% pip install genice_cif

Private installation

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

Test in place

% make test

Project details

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