On Tuesday 10 June 2008 07:15, Oganesyan, Vaheh wrote:
> I apologize for using BB to address a person (Ethan Merritt, U. of 
> Washington). 
> His e-mail address mentioned on TLSMD page is not operational. 

I'm here, at the same Email address as always.

> Good morning Ethan,
> 
> Few months ago I asked you if carbohydrates can be recognized by TLSMD
> and appropriate calculations can be included in on-line version of TLSMD.
> I'm writing to you to find out if there was any progress in that direction
> and how to make carbohydrates to be recognized.   

No, sorry, we've been working on other things - in particular on automating
the identification of TLS groups that involve residues from multiple chains.
Although now that I think of it, this may have some bearing on your
carbohydrate question after all.  If the sugars are intially treated as
separate groups, they may nevertheless be recognized as being candidates for
merging back with a protein TLS segment.

Garib mentioned at the CCP4 workshop that he had results indicating that
it may be useful to allow a first shell of water molecules to be
'carried along for the ride' with the corresponding TLS groups.
Sugars might or might not fall into this same category.
Garib - what did you do if a first-shell water is H-bonded to residues
from more than one TLS group?

        Ethan

 
> Regards,
> 
> Vaheh Oganesyan
> 
> _______
> Vaheh
> 
> -----Original Message-----
> From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Kay 
> Diederichs
> Sent: Saturday, June 07, 2008 7:26 AM
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] cryo-cooling
> 
> Jose,
> 
> check out the 4 papers by R. Thorne listed at
> http://www.px.nsls.bnl.gov/courses/papers/ZD_EG_papers.html
> 
> HTH,
> 
> Kay
> -- 
> Kay Diederichs              http://strucbio.biologie.uni-konstanz.de
> email: [EMAIL PROTECTED]  Tel +49 7531 88 4049 Fax 3183
> Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
> 
> 
> 
> 
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-- 
Ethan A Merritt            Courier Deliveries: 1959 NE Pacific
Dept of Biochemistry       Regular Mail: Mailstop 357742
Health Sciences Building
University of Washington - Seattle WA 98195-7742

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