Refinement

The refinement funtion allows to generate a more continious path of configurations in between each frame generated by GPathFinder using an RRT-algorithm. It can be used as follows:

• Place the directory containing the gaudi GPathFinder result files into the refinement_input_files directory of the GPathFinder module
• In the terminal, run: python refinement.py <directory> <path_number (int)> <start_frame> <end_frame>

The refinement_input_files directory already contains example files suited to be run, for example:

python refinement.py 1ldi_a_clashes_01 0 10 20

runs the refinement process of the path in file 1ldi_a_clashes_02_000 through frames 10 to 20 and outputs a log file and the path .pdb file in the refinemnt_output_files directory.