I have a few questions about assessing simulation quality from I-TASSER outputs, specifically:
Firstly, I was wondering whether I-TASSER suite does internal calculations of simulation quality before outputting the models? If so, can this information be accessed from the output files, and what sort of checks does it do?
Secondly, are there any generally accepted metrics/tests to run to assess the likelihood of the simulations being good approximations of a structure? (I've run RMSD comparisons already, and am thinking about maybe checking dihedral angles etc?). What would your suggestion for best practice be for taking the models from I-TASSER forward and refining/testing them?
I have done this for over 300 sequences, so would like some quick metrics I can refer to to validate the use of a particular structure, ideally commandline tools would be preferable to webservers.
Many thanks.