서주현 wrote: > I have interest in model assessment method in Modeller 8.1 > I would like to evaluate models, which are generated from other modeling > program, with the functions in Modeller 8.1 > Let's say that I have generated 100 protein models from one template and > alignment with other modeling program. > I'd like to sort those models with the assessment method in Modeller 8.1 > How can I do the model evaluation (or model sorting)? > As far as I have tried in Modeller8.1, model assessment can be done only > if the model is generated by Modeller with the specified "assess_methods". > > In short, what I want to know is that how I can call the model > assessment function from the outside of the Modeller.
See the model.energy() example: http://salilab.org/modeller/manual/node150.html
Simply replace the last two lines from that with score = mdl.assess_ga341() or score = mdl.assess_dope() to return the assessment score in the Python variable 'score'.
The preceding code is necessary to deal with non-standard PDB ordering, construction of disulfide bridges, etc.
Ben Webb, Modeller Caretaker