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 > > > > > To the extent this electronic communication or any of its attachments contain > information that is not in the public domain, such information is considered > by MedImmune to be confidential and proprietary. This communication is > expected to be read and/or used only by the individual(s) for whom it is > intended. If you have received this electronic communication in error, > please reply to the sender advising of the error in transmission and delete > the original message and any accompanying documents from your system > immediately, without copying, reviewing or otherwise using them for any > purpose. Thank you for your cooperation. > -- 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