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