store_reaction_template Command Help

Command: $SCHRODINGER/utilities/store_reaction_template

usage: store_reaction_template [-h]
                                                      [-output_file OUTPUT_FILE]
                                                      [-assume_irc_connections]
                                                      [input_file ...]

Script to add reaction templates to a file

positional arguments:
  input_file            mae File containing structures to be added to a
                        dataset. If no file is specified we search for all
                        _full_path.mae files in subdirectories of the current
                        working directory.

options:
  -h, --help            show this help message and exit
  -output_file OUTPUT_FILE
                        File to add structures to. Structures are only added
                        if the identifying reaction category strings are not
                        already present in this file. If a file is not given
                        templates are added to the file /Users/bozhang/.schrod
                        inger/autots_templates/autots_templates.mae.
  -assume_irc_connections
                        Assume transition states are connected to structures
                        contiguous in the input mae file. This options should
                        only be used if you are ABSOLUTELY CERTAIN that this
                        TS connects the two endpoints listed contiguously in
                        the input mae file.