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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.sdf

SYNOPSIS

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.

REPORTING BUGS

Report sdf_add_cod_data bugs using e-mail: cod-bugs@ibt.lt