Provided by: cod-tools_3.4.0+dfsg-1build2_amd64
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.
SYNOPSIS
molcif2sdf --options < file1.cif molcif2sdf --options file1.cif molcif2sdf --options file1.cif file2*.cif
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.
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.lt MOLCIF2SDF(1)