moleculekit.tools.obabel_tools package#

Submodules#

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