[phenixbb] sculptor : alternate conformations

[Dr G. Bunkoczi]

Hi Bryan,

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 
is demand.

BW, Gabor

On Nov 19 2010, Bryan Lepore wrote:

>dev-586
>
>i'll probably try this anyways, but what is the advice on alternate
>conformations with sculptor?
>
>-Bryan