Extended Connectivity Fingerprints (ECFPs) ========================================== The script *gen_ecfp.py* generates and outputs the *Extended Connectivity Fingerprint* (ECFP) :cite:`doi:10.1021/ci100050t` of molecules read from a specified input file. **Synopsis** :program:`python` *gen_ecfp.py* [-h] -i <file> -o <file> [-n <integer>] [-r <integer>] [-y] [-c] **Mandatory options** -i <file> Input molecule file -o <file> Fingerprint output file **Other options** -h, --help Show help message and exit -n <integer> Fingerprint size in bits (default: 1024) -r <integer> Max. atom environment radius in number of bonds (default: 2) -y Do not ignore hydrogens (by default, the fingerprint is generated for the H-deplete molecular graph) -c Include atom chirality (by default, atom chirality is not considered) **Code** .. literalinclude:: /downloads/gen_ecfp.py :language: python :linenos: :lines: 21- :download:`Download source file</downloads/gen_ecfp.py>`