moleculekit.tools.obabel_tools package

Submodules

• moleculekit.tools.obabel_tools.obabel_cli module
  • getOpenBabelProperties()

Module contents

moleculekit.tools.obabel_tools.getOpenBabelProperties(mol)

moleculekit.tools.obabel_tools.openbabelConvert(input_file, input_format, output_format, extra_args=())

Converts the file from the input format to the output format specified. It uses the openbabel features

Parameters:

• input_file (str) – The path of the input file to convert

• input_format (str) – The input file format

• output_format (str) – The output file format

Returns:

outfile – The output file generated

Return type:

str