sdf_add_cod_data(1)

append COD-specific meta-information to an SDF file in a format suitable for PubChem.

Section 1 cod-tools bookworm source

Description

SDF_ADD_COD_DATA

NAME

sdf_add_cod_data - append COD-specific meta-information to an SDF file in a format suitable for PubChem.

SYNOPSIS

sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf

sdf_add_cod_data --options --cod-cif cod-input.cif file1.sdf > output.sdf

sdf_add_cod_data --options --cod-cif cod-input.cif < file1.sdf > output.sdf

DESCRIPTION

Append COD-specific meta-information to an SDF file in a format suitable for PubChem.

OPTIONS

-C, --cod-cif 1000000.cif
Provide the original COD CIF to extract structure metadata.

--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