Hello,
Greatly appreciate the work done in developing this software, I am looking to implement it for my protein-of-interest.
I am wondering if the --initial_guess flag can be utilized by EvoPro? I have tried to specify a .pdb for --initial_guess in the af2.flags file, however, I keep obtaining the IndexError below whenever I try to implement --initial_guess in af2.flags (for background, I am using the "MAIN" branch version of EvoPro). I am pretty confident my .pdb file is formatted correctly, so not sure if using --initial_guess may not be compatible with EvoPro or if there are any suggestions you can give on how I can resolve the error below. Greatly appreciate any help!
Best,
Brandon
Hello,
Greatly appreciate the work done in developing this software, I am looking to implement it for my protein-of-interest.
I am wondering if the --initial_guess flag can be utilized by EvoPro? I have tried to specify a .pdb for --initial_guess in the af2.flags file, however, I keep obtaining the IndexError below whenever I try to implement --initial_guess in af2.flags (for background, I am using the "MAIN" branch version of EvoPro). I am pretty confident my .pdb file is formatted correctly, so not sure if using --initial_guess may not be compatible with EvoPro or if there are any suggestions you can give on how I can resolve the error below. Greatly appreciate any help!
Best,
Brandon