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codcif2sdf - convert CIFs with crystal description (similar to those obtained from the COD) to an SDF

Description

       Convert CIFs with crystal description (similar to those obtained from the COD) to  an  SDF  file  with  a
       molecule description.  Intended to be suitable for upload to PubChem.

Name

       codcif2sdf  -  convert  CIFs  with crystal description (similar to those obtained from the COD) to an SDF
       file with a molecule description. Intended to be suitable for upload to PubChem.

Options

       -i, --ignore-bumps
                         Ignore atomic bumps while running cif_molecule.

       --tmp-dir /tmp
                         Use the specified temporary directory (default: '/tmp').

       --help, --usage
                         Output a short help message (this message) and exit.

       --version
                         Output version information and exit.

Reporting Bugs

       Report codcif2sdf bugs using e-mail: cod-bugs@ibt.ltCODCIF2SDF(1)

Synopsis

       codcif2sdf --options < file1.cif

       codcif2sdf --options file1.cif

       codcif2sdf --options file1.cif file2*.cif

See Also