[phenixbb] Ordered solvent distances

Pavel Afonine pafonine at lbl.gov
Fri Aug 3 10:05:43 PDT 2012


Yes, you can do that. In my reply I meant it can't be done automatically 
by phenix.refine.
Pavel


On 8/1/12 6:46 PM, Walter Novak wrote:
> But it is possible to place two waters in those locations and assign 
> different altloc identifiers to each. Correct?
>
> Best,
> Wally
>>>> Also, if two waters can't get placed in the density due to distance
>>>> criterion, can phenix place one water in dual conformations in that
>>>> density?
>>> Currently not, but would be good to have, I agree.
>>>
>>> Pavel
>>>
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>
> Walter R.P. Novak
> Assistant Professor of Chemistry
> Wabash College
> 301 W. Wabash Avenue
> Crawfordsville, IN 47933
> Phone: 765-361-6407
> Fax: 765-361-6149
>
>
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