Added a method add_results_from_vina_string that can add data to database using a dict of ligand name and docking result: {'ligand_name': docking_result_string}.
I have tested the method with one sample file provided by Diogo, and have not yet tested with more than one string.
There are many optimizations that can be done and there definitely is redundant code right now, but wanted to get something working first.
Added a method
add_results_from_vina_stringthat can add data to database using a dict of ligand name and docking result:{'ligand_name': docking_result_string}. I have tested the method with one sample file provided by Diogo, and have not yet tested with more than one string.There are many optimizations that can be done and there definitely is redundant code right now, but wanted to get something working first.