smarts_match_driver.py Command Help

Command: $SCHRODINGER/run smarts_match_gui_dir/smarts_match_driver.py

usage: $SCHRODINGER/run smarts_match_gui_dir/smarts_match_driver.py
       [-h] -smarts FILE [-clean] [-allow_partial_overlap] input_file

Finds and marks all matches to a given set of SMARTS patterns

Copyright Schrodinger, LLC. All rights reserved.

positional arguments:
  input_file            Input file

options:
  -h, -help             Show this help message and exit.
  -smarts FILE          File containing smarts patterns and smarts pattern
                        names. Each line of the file should be in the form
                        "name pattern", where "name" is a name for the pattern
                        and pattern is the SMARTS pattern. For instance, a
                        line for a secondary amine match might be "amine2
                        N[H]" without the quotes. Blank lines and lines
                        starting with # are skipped. Names should only consist
                        of letters, numbers and the special characters _-()[]
  -clean                Delete any existing SMARTS group information on the
                        input structures.
  -allow_partial_overlap
                        Allow atoms to belong to multiple groups.