[phenixbb] sculptor : alternate conformations
Dr G. Bunkoczi
gb360 at cam.ac.uk
Mon Nov 22 02:03:12 PST 2010
hmm, I have not done any comparative studies on the subject, and hence
cannot offer any advice. By default, sculptor will keep all alternate
conformations that are present in the template model. You have some control
over this by using a CNS-style selection string, e.g.
input.model.selection="not altid B".
There used to be more support for alternate conformations, e.g. removing
the altid and resetting the occupancy to 1.0, but I figured the selection
string would cover most of this functionality without unnecessarily
complicating the user interface. But I am happy to reinstate this if there
On Nov 19 2010, Bryan Lepore wrote:
>i'll probably try this anyways, but what is the advice on alternate
>conformations with sculptor?
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