I noticed that in the existing code, when you run pkaani with no arguments you get the error pasted at the bottom of this message. When you run pkaani -i with no PDB file you get the help message but also the error pasted at the bottom. I made a couple very small tweaks to make it so that the help message gets printed and the program exits when you either run pkaani with no input flags or pkaani -i with no PDB file.
File "/Users/sastrys1/opt/anaconda3/envs/pkaani/bin/pkaani", line 33, in
sys.exit(load_entry_point('pkaani==0.1.0', 'console_scripts', 'pkaani')())
File "/Users/sastrys1/opt/anaconda3/envs/pkaani/lib/python3.8/site-packages/pkaani-0.1.0-py3.8.egg/pkaani/run.py", line 77, in main
input_files = handle_arguments_pkaani()
File "/Users/sastrys1/opt/anaconda3/envs/pkaani/lib/python3.8/site-packages/pkaani-0.1.0-py3.8.egg/pkaani/run.py", line 68, in handle_arguments_pkaani
if len(inp_file)==0: # is None:
TypeError: object of type 'NoneType' has no len()
I noticed that in the existing code, when you run
pkaaniwith no arguments you get the error pasted at the bottom of this message. When you runpkaani -iwith no PDB file you get the help message but also the error pasted at the bottom. I made a couple very small tweaks to make it so that the help message gets printed and the program exits when you either runpkaaniwith no input flags orpkaani -iwith no PDB file.