2 Oct
2015
2 Oct
'15
10:32 a.m.
On 9/30/15 11:54 AM, Parker de Waal wrote: > Is it possible to use modeller to predict the active conformation of A > using structure B as the template?
Sure, just do regular modeling using the sequence of A as your target and B as your template.
> Is it possible to hold the correct parts of protein A in place and only > perform modelling on residues within the active site (taken from protein > B as template)?
Certainly - just use your structure of A as the initial model: http://salilab.org/modeller/9.15/manual/node27.html
Then override select_atoms() to only select the active site: http://salilab.org/modeller/9.15/manual/node23.html
Ben Webb, Modeller Caretaker
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