[phenixbb] adding hydrogens -> increasing clash score

Tatyana Sysoeva tatyanasysoeva at gmail.com
Fri Jul 29 12:36:00 PDT 2011


I meant that initially I did not have H in the refinement, sorry for the
confusion.
By the way - should I still include "not (element H)" into the NCS
parameters or it is done automatically. I used this line, but I am not sure
if it is needed.


I will try the new built and report the results.

Thank you,
Tanya


On Fri, Jul 29, 2011 at 3:32 PM, Ed Pozharski <epozh001 at umaryland.edu>wrote:

> On Fri, 2011-07-29 at 15:18 -0400, Tatyana Sysoeva wrote:
> > when one includes hydrogens into a refinement of a model build with
> > data at ~3.6A
>
> Not sure what you mean by "including into refinement", but if it means
> that hydrogen positions are actually refined... well, you shouldn't do
> that at 3.6A.
>
> --
> "Hurry up before we all come back to our senses!"
>                           Julian, King of Lemurs
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110729/edcf5631/attachment.htm>


More information about the phenixbb mailing list