Provided by: python-chemfp_1.1p1-2.1_amd64 bug


       simsearch - simsearch


       usage: simsearch [-h] [-k K_NEAREST] [-t THRESHOLD] [-q QUERIES] [--NxN]

              [--hex-query  HEX_QUERY] [--query-id QUERY_ID] [--in FORMAT] [-o FILENAME] [-c] [-b
              BATCH_SIZE] [--scan] [--memory] [--times] target_filename

       Search an FPS file for similar fingerprints

   positional arguments:
              target filename

   optional arguments:
       -h, --help
              show this help message and exit

       -k K_NEAREST, --k-nearest K_NEAREST
              select the k nearest neighbors (use 'all' for all neighbors)

       -t THRESHOLD, --threshold THRESHOLD
              minimum similarity score threshold

       -q QUERIES, --queries QUERIES
              filename containing the query fingerprints

       --NxN  use the targets as the queries, and exclude the selfsimilarity term

       --hex-query HEX_QUERY
              query in hex

       --query-id QUERY_ID
              id for the hex query

       --in FORMAT
              input query format (default uses the file extension, else 'fps')

       -o FILENAME, --output FILENAME
              output filename (default is stdout)

       -c, --count
              report counts

       -b BATCH_SIZE, --batch-size BATCH_SIZE
              batch size

       --scan scan the file to find matches (low memory overhead)

              build and search an in-memory data structure (faster for multiple queries)

              report load and execution times to stderr