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,....
vs
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
J
_________________________________
Joel Tyndall, PhD
Senior Lecturer in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand http://www.researcherid.com/rid/C-2803-2008
Pukeka Matua Te Kura Taiwhanga Putaiao Te Whare Wananga o Otago Pouaka Poutapeta 56 Otepoti 9054 Aotearoa
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