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molcif2sdf - convert CIFs with multiple molecules (similar to those obtained from the 'cif_molecule'

Description

       Convert CIFs with multiple molecules (similar to those obtained from the 'cif_molecule' script) to an SDF
       file with a molecule description.  Intended to be suitable for upload to PubChem.

Name

       molcif2sdf  -  convert  CIFs  with  multiple molecules (similar to those obtained from the 'cif_molecule'
       script) to an SDF file with a molecule description. Intended to be suitable for upload to PubChem.

Options

       -C, --cod-cif 1000000.cif
                         Provide the original COD CIF to extract structure metadata.

       --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 molcif2sdf bugs using e-mail: cod-bugs@ibt.ltMOLCIF2SDF(1)

Synopsis

       molcif2sdf --options < file1.cif

       molcif2sdf --options file1.cif

       molcif2sdf --options file1.cif file2*.cif

See Also