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[modeller_usage] loops and disulfide

Hi folks,


I’m looking to generate a model with a disulfide constraint as well as loop refinement. I am still getting my head around the python scripts. In the old top files, one could do multiple things in the single top file. I can’t seem to get past this issue with the python scripts. I can run things separately but I am at a loss trying to combine them. I seem to be stuck with


a = loopmodel(env,....




a = MyModel (having defined the disulfide patch


Could someone help or direct me to the write web page. Is this the process to actually run two separate cripts (generate disulfide then run loop refinement?


Many thanks in advance


An example script would be awesome





Joel Tyndall, PhD

Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand                   


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