table of contents
sdf_add_cod_data() | sdf_add_cod_data() |
NAME¶
sdf_add_cod_data - Append COD-specific meta-information to an SDF file in a format suitable for PubChem. USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf > output.sdf USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif < file1.sdf > output.sdfSYNOPSIS¶
sdf_add_cod_data [options] [input files]DESCRIPTION¶
Append COD-specific meta-information to an SDF file in a format suitable for PubChem.USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf > output.sdf USAGE: sdf_add_cod_data --options --cod-cif cod-input.cif < file1.sdf > output.sdf
OPTIONS¶
-C, --cod-cif 1000000.cif Provide the original COD CIF to extract structure metadata.--tmp-dir /tmp Use the specified temporary directory (default is /tmp). This option is deprecated and will be removed in future releases.
--help, --usage Output a short help message (this message) and exit.
--version Output version information and exit.