Open jkosinski opened 1 day ago
@jkosinski what are the advantages of using 'quick' mode? You can already use AF3&2 models with 'default' mode, don't have to do realignments for template sequence manually after removing overlapping residues and is not much slower actually.
Speed, ease of use, and no need for MSAs present, but quick_mode works only for cases where the template sequence is similar or identical. Let's discuss the truemultimer "enhancement" features later offline, for now just putting them to remember.
Currently, --threshold_clashes and --plddt_threshold are options for the default TrueMultimer mode with create_individual_features.py but it would be actually very useful to have it as arguments for run_multimer_jobs.py in --multimeric_template quick mode. A common application is to remove clashes of models from other methods or AlphaFold3 (which often leaves clashes).