[phenixbb] C-beta RMSD

Tim Gruene tg at shelx.uni-ac.gwdg.de
Thu Jul 2 05:44:37 PDT 2015


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Dear Kaushik,

meanwhile you could use lsqman from the Uppsala Software Factory
(search for 'lsqman usf').

It should do it.

Best,
Tim

On 06/26/2015 07:07 PM, Pavel Afonine wrote:
> Hi Kaushik,
> 
> it is not off-topic. I'm not aware of such a tool in Phenix. We
> have all components in CCTBX to enable this kind of calculation but
> I afraid some one needs to spend a day or two to actually put them
> together into an end-user tool..
> 
> Pavel
> 
>> Hi,
>> 
>> Is there a tool which can calculate C-beta RMSD for equivalent
>> amino acids of homologous structures, post C-alpha
>> superposition?
>> 
>> Sorry if its off topic, Thanks, Kaushik
> 
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- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149

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