Hi guys,

I am wondering how to set a cutoff affinity when I performing the vina docking. Because i listed out some log files and execute python vs_analysis.py to list the top hits. But the py function cannot work when you have some positive affinity values, well, in virtual screening, some molecules could have positive affinities. I don't know how to edit this python vs_analysis.py script, so I would like to know how to set a maybe cutoff value to prevent generating log files and outputs if the value is under maybe -4 kcal/mol.

Any advice would be much appreciated! Thanks,

Fan