| CODCIF2SDF(1) | General Commands Manual | CODCIF2SDF(1) |
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.
codcif2sdf --options < file1.cif
codcif2sdf --options file1.cif
codcif2sdf --options file1.cif file2*.cif
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.
-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.
Report codcif2sdf bugs using e-mail: cod-bugs@ibt.lt