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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.
SYNOPSIS
codcif2sdf --options < file1.cif codcif2sdf --options file1.cif codcif2sdf --options file1.cif file2*.cif
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.
OPTIONS
-i, --ignore-bumps Ignore atomic bumps while running cif_molecule. --tmp-dir /tmp Use the specified temporary directory (default is /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.lt CODCIF2SDF(1)