MOLCIF2SDF(1) | General Commands Manual | MOLCIF2SDF(1) |
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.
molcif2sdf --options < file1.cif
molcif2sdf --options file1.cif
molcif2sdf --options file1.cif file2*.cif
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.
-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.
Report molcif2sdf bugs using e-mail: cod-bugs@ibt.lt