### py2opsin.py2opsin.pkg_fopen Source: https://jacksonburns.github.io/py2opsin/py2opsin.html Opens a specified file name. This function appears to be a utility for file operations within the package. ```APIDOC ## pkg_fopen() API ### Description Opens a specified file name. This function is a utility for file operations. ### Parameters * **_fname_**: The name of the file to open. ``` -------------------------------- ### py2opsin.py2opsin.py2opsin Source: https://jacksonburns.github.io/py2opsin/py2opsin.html A simple passthrough to OPSIN, converting chemical names to specified output formats. It supports various formats like SMILES, InChI, and more, with options to control interpretation of acids, radicals, and stereochemistry. ```APIDOC ## py2opsin() API ### Description Simple passthrough to OPSIN, returning results as Python strings. Converts chemical names to various formats. ### Parameters * **chemical_name** (str | list) - Required - IUPAC name of chemical as string, or list of strings. * **output_format** (str, optional) - One of "SMILES", "ExtendedSMILES", "CML", "InChI", "StdInChI", or "StdInChIKey". Defaults to "SMILES". * **allow_acid** (bool, optional) - Allow interpretation of acids. Defaults to False. * **allow_radicals** (bool, optional) - Enable radical interpretation. Defaults to False. * **allow_bad_stereo** (bool, optional) - Allow OPSIN to ignore uninterpreatable stereochem. Defaults to False. * **wildcard_radicals** (bool, optional) - Output radicals as wildcards. Defaults to False. * **jar_fpath** (str, optional) - Filepath to OPSIN jar file. Defaults to "default", which causes py2opsin to use its included jar. * **tmp_fpath** (str, optional) - Name for temporary file used for calling OPSIN. Defaults to "py2opsin_temp_input.txt". When multiprocessing, set this to a unique name for each process. ### Returns Species in requested format, or False if not found or an error occurred. List of strings if input is list. ### Return Type str ``` === COMPLETE CONTENT === This response contains all available snippets from this library. No additional content exists. Do not make further requests.