From owner-structural-nmr@net.bio.net Thu Dec 01 22:00:00 1994
Path: biosci!MED.UNC.EDU!sheng
From: sheng@MED.UNC.EDU (Sheng Zhong)
Newsgroups: bionet.structural-nmr
Subject: MacX
Date: 2 Dec 1994 14:41:48 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 24
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412022238.AA15648@hasty.med.unc.edu>
NNTP-Posting-Host: net.bio.net


Hi, 

Thanks everyone for the help. Up to now, I can run some graphic 
programs installed in indigo2 using macx. When I tried to run 
felix, however, I got:

segmentation fault

No can I run the insightII.

We have version felix2.3 with X-remote license. Although debug is 
a part of our every day job sometimes it will make one crasy.

Does any one know what is the problem, or has an advise? 

To whom trying to get the information that I got. I'll write the 
summary after I get the felix running.   

Dr. Sheng Zhong
Dept of Biochem & Biophys
UNC at Chapel Hill

sheng@med.unc.edu

From owner-structural-nmr@net.bio.net Thu Dec 01 22:00:00 1994
Path: biosci!galaxy.ucr.edu!library.ucla.edu!agate!news.Stanford.EDU!morrow.stanford.edu!camis.Stanford.EDU!holbrook
From: holbrook@camis.Stanford.EDU (Robin Holbrook)
Newsgroups: bionet.structural-nmr,sci.techniques.mag-resonance
Subject: Advanced NMR Course, May 1995
Date: 2 Dec 1994 17:07:02 GMT
Organization: Center for Advanced Medical Informatics at Stanford
Lines: 29
Distribution: world
Message-ID: <3bnk7m$fcs@morrow.stanford.edu>
NNTP-Posting-Host: camis.stanford.edu
Xref: biosci bionet.structural-nmr:315 sci.techniques.mag-resonance:504

 International School of Biological Magnetic Resonance, 2nd Course:  
"Dynamics & the Problem of Recognition in Biological Macromolecules"

                       May 19-30, 1995

         Ettore Majorana Centre for Scientific Culture, 
                     Erice, Sicily, Italy

An advanced graduate course devoted to the analysis of the
dynamic behavior of biological macromolecules by nuclear magnetic
resonance.  

10 days of lectures, workshops and tutorials w/~20 lecturers
-  attendance limited to ~75 students.  Sponsored by FEBS, NATO
and the sponsors of the Ettore Majorana Centre.

Registration including full room and board during course:
$1,000 US.  Some partial scholarships available.

For information and/or registration contact either:
 holbrook@camis.stanford.edu 
(Ms. Robin Holbrook, Course Administrative Assistant)

or the Directors:
Dr. Oleg Jardetzky (Email:  jardetzky@camis.stanford.edu
Fax:  415/723-2253) or
Dr. Jean-Francois Lefevre (Email:  lefevre@bali.u-strasbg.fr
Fax:  +33/88 65 53 43)


From owner-structural-nmr@net.bio.net Thu Dec 01 22:00:00 1994
Path: biosci!NMR.UOREGON.EDU!STRAIN
From: STRAIN@NMR.UOREGON.EDU (MIKE STRAIN)
Newsgroups: bionet.structural-nmr
Subject: Re: run Felix-X and VnmrX remotely on PCs and MACs
Date: 2 Dec 1994 11:38:55 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 20
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <941202122421.2080052f@NMR.UOREGON.EDU>
NNTP-Posting-Host: net.bio.net

We also use Linux running on our 486 machines for displaying Felix-X 
and lots of other X applications running on our SGI machines.  
We also use a PC running Linux to operate the auxilliary f4 and f5 
frequency channels on our Omega-500 spectrometer. 

Linux is available on CDROMS from several sources.  The most current 
version is available via anonymous FTP from tsx-11.mit.edu or 
sunsite.unc.edu.  We use the "Slackware" distribution.

We have never found a satifactory X server for the Macintosh. Has anyone 
else?


-----------------------------------------------------------------------
Michael Strain					strain@nmr.uoregon.edu
Institute of Molecular Biology
University of Oregon				voice:	503-346-4036
Eugene, OR 97403				FAX:	503-346-4854
-----------------------------------------------------------------------


From owner-structural-nmr@net.bio.net Thu Dec 01 22:00:00 1994
Path: biosci!EMRYCC.CC.EMORY.EDU!chemkak
From: chemkak@EMRYCC.CC.EMORY.EDU ("KELLY A. KEATING")
Newsgroups: bionet.structural-nmr
Subject: X-Felix on a Mac
Date: 2 Dec 1994 15:14:36 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 51
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412022314.AA18114@emoryu1.cc.emory.edu>
NNTP-Posting-Host: net.bio.net

We use all our MacIntoshes as X displays for Felix 
successfully, using the software MaxX.  A couple of
years ago I believe MacX sold for about $200.
All of our Macs and SGIs are of course connected over
an ethernet, thus MacX allows us also to use the Mac as
an X terminal for workstations.

The trickiest part about getting Felix to display thru
MacX is getting the settings in the MacX setup correct.
Once you have installed MacX on your MacIntosh, start it
up, and under Remote choose Edit Command.
The command line you enter must be:

/usr/bin/X11/xterm -ls -title "@host xterm" -sb -display "@display"

where I've used the @ symbol here in place of the R-in-a-circle
symbol (the trademark symbol---I don't remember how to make
it on the Mac).

Then, Command Name can just be the user's login name for
the SGI.

Display MUST be (2)Color Rootless

Output  Save


For Host, add your SGI's hostname to the list and choose it.
For Method, we use MacTCP Tool, already installed on our Mac.


This works well for us. I know that there are variations
of the command line above that starts with /usr/bin......
becasue once I had to work with a Mac expert to get it to work
on someone else's Mac, and I know we ended up with soemthing
slightly different from above. Also that particular time we kept
running into out-of-memory errors from the Mac, and all she then
did was increase the Mac's virtual memory and everything was fine.

There is a more complete writeup of how to do this in my old Biosym
notebook from when I was still at Biosym, so if you have 
a Customer Support contract with Biosym, simply send
them email at rcenter@biosym.com and request the instructions
for doing this--the person in the Felix support job now
will know what to send you.  

Kelly Keating
Dept. of Chemistry
Emory University
Atlanta, GA 30322


From owner-structural-nmr@net.bio.net Mon Dec 05 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!spool.mu.edu!howland.reston.ans.net!pipex!uknet!daresbury!not-for-mail
From: Florence Lebreton <lebreton@pasteur.fr>
Newsgroups: bionet.structural-nmr
Subject: PAP
Date: 6 Dec 1994 13:45:25 -0000
Lines: 18
Sender: lpddist@mserv1.dl.ac.uk
Distribution: bionet
Message-ID: <3c1ptl$qbc@mserv1.dl.ac.uk>
Original-To: str-nmr@dl.ac.uk

Dear Netters

I am currently looking for a software which should
be called PAP : a protein analysis package (Callahan et al., 
1990, J. Appl. Cryst. 23, 434-436).
Could you please tell me where I could find it ?
Thanks 

Florence Lebreton
Laboratoire de RMN
Institut Pasteur
28 rue du Dr. Roux
75015 Paris
France
tel : (011331) 40 61 30 87
fax : (011331) 45 68 88 85



From owner-structural-nmr@net.bio.net Mon Dec 05 22:00:00 1994
Path: biosci!MED.UNC.EDU!sheng
From: sheng@MED.UNC.EDU (Sheng Zhong)
Newsgroups: bionet.structural-nmr
Subject: macx
Date: 6 Dec 1994 13:10:13 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 48
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412062110.AA06783@hasty.med.unc.edu>
NNTP-Posting-Host: net.bio.net


Hi,

Here is my summary:

         How to use Macx to run Felix2.3

Don't use it! (correct me if I am wrong.)

It looks like macx have given people lot of pain when they tried
to run felix version 2.3 or up. 

It seems to me a program called Exodus ($148 with educational
discount) may be better and is much easier to configure 
according to the e-mails I received. 


I got macx from Mosaic (nice network program).

If one wants run X- on PC 
Linux is available via anonymous FTP from tsx-11.mit.edu or 
sunsite.unc.edu. 


For those people have not been able to get graphics from macx
here is a simple solution.

1, Open macx and forget it.
2, Open NCSA-telnet and  connect telnet to your network 
   (remote workstation).
3a, After telnet connect to your SGI through network. type:
   'winterm'
   or 
   'xwsh'
   or 
   ... whatever x-window you like. 
   now you can run graphic program within these windows
3b, After connection to the network just type graphic program
    name such as
    xv  (xview program)

Good luck

Dr. Sheng Zhong
Dept of Biochem & Biophys
UNC at Chaple Hill

sheng@med.unc.edu

From owner-structural-nmr@net.bio.net Tue Dec 06 22:00:00 1994
Path: biosci!ggr.co.uk!rhf23484
From: rhf23484@ggr.co.uk (Dr R H Fogh)
Newsgroups: bionet.structural-nmr
Subject: H/D exchange of His 2-CH in proteins.
Date: 7 Dec 1994 01:34:46 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 14
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <20954.199412070925@mailhub.ggr.co.uk>
NNTP-Posting-Host: net.bio.net

    Dear netters,
    We came across a problem with our His H2 aromatic CH protons in a
    protein we are looking at. After 4-5 days at 35 deg and pH 7.5 in D2O,
    about half the intensity of these resonances had gone. Almost all the
    NH protons had exchanged after 6-8 hours at 25-45 at the beginning.
    This phenomenon is new to me, but then I have always done my NMR around
    pH 5 before.
    Is it possible / likely that you get an exchange with solvent of His H2
    protons under these conditions? Or if not, has anybody got an
    alternative explanation?

    Thanks for helping out.

    rhf23484@ggr.co.uk   (Rasmus Fogh, Glaxo, Verona).

From owner-structural-nmr@net.bio.net Tue Dec 06 22:00:00 1994
Path: biosci!ERE.UMontreal.CA!phanviem
From: phanviem@ERE.UMontreal.CA (Phan Viet Minh Tan)
Newsgroups: bionet.structural-nmr
Subject: (none)
Date: 7 Dec 1994 04:06:23 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 11
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.3.89.9412070728.A19723-0100000@tornade.ERE.UMontreal.CA>
NNTP-Posting-Host: net.bio.net

Subscribe

Minh Tan Phan viet
Dept. Chem., Univ. Montreal
PO Box 6128, Stn Centreville
Montreal, Que., Canada H3C 3J7
Tel : (514) 343-5857
Fax : (514) 343-5718
Email: phanviem@ere.umontreal.ca



From owner-structural-nmr@net.bio.net Wed Dec 07 22:00:00 1994
Path: biosci!CHARLY.MONSANTO.COM!crjone
From: crjone@CHARLY.MONSANTO.COM (Claude R. Jones)
Newsgroups: bionet.structural-nmr
Subject: PFG Amplifier Question
Date: 8 Dec 1994 12:28:15 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 34
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412082021.AA17735@charly.monsanto.com>
NNTP-Posting-Host: net.bio.net





Hello:


I am trying to decide between the 10 amp and 20 amp versions of the 
Highland DC amplifier for high resolution PFG experiments. 

The performance characteristics seem to be the same except for one point - 
the DC current step size. As I understand it with a 10 amp amplifier and a 
10 amp probe the step size would be 10amp/32768 whereas with a 20 amp 
amplifier and a 10 amp probe the step size would be 10amp/16384. With the 
20 amp version the current step is twice as coarse. 

I would appreciate hearing from anyone who has used or thought about very 
fine control of the current step size. Is this difference in current step 
size an important issue? What experiments would show a real benefit from 
a 10amps/32768 current step size versus the coarser step size?

I want to be sure the amplifier will allow us to do all of the high 
resolution PFG experiments now but I would like to keep the door open 
for higher gradient strength work in the future. 



Thanks in Advance



Claude R. Jones



From owner-structural-nmr@net.bio.net Thu Dec 08 22:00:00 1994
Path: biosci!NODDY.CM.UTEXAS.EDU!jarle
From: jarle@NODDY.CM.UTEXAS.EDU (Jarle Lillemoen)
Newsgroups: bionet.structural-nmr
Subject: (none)
Date: 9 Dec 1994 09:06:50 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 2
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412091706.AA14492@noddy.cm.utexas.edu>
NNTP-Posting-Host: net.bio.net

subscribe


From owner-structural-nmr@net.bio.net Thu Dec 08 22:00:00 1994
Path: biosci!NODDY.CM.UTEXAS.EDU!jarle
From: jarle@NODDY.CM.UTEXAS.EDU (Jarle Lillemoen)
Newsgroups: bionet.structural-nmr
Subject: (none)
Date: 9 Dec 1994 09:05:21 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 2
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412091705.AA14489@noddy.cm.utexas.edu>
NNTP-Posting-Host: net.bio.net

subscribe


From owner-structural-nmr@net.bio.net Fri Dec 09 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!uhog.mit.edu!sgiblab!swrinde!howland.reston.ans.net!vixen.cso.uiuc.edu!newsrelay.iastate.edu!news.iastate.edu!kintanar
From: kintanar@iastate.edu (Agustin Kintanar)
Newsgroups: bionet.structural-nmr
Subject: Re: H/D exchange of His 2-CH in proteins.
Date: 10 Dec 1994 18:37:26 GMT
Organization: Iowa State University, Ames, Iowa (USA)
Lines: 30
Distribution: world
Message-ID: <3ccsh6$66h@news.iastate.edu>
References: <20954.199412070925@mailhub.ggr.co.uk>
NNTP-Posting-Host: pv0a0b.vincent.iastate.edu
Originator: kintanar@pv0a0b.vincent.iastate.edu


In article <20954.199412070925@mailhub.ggr.co.uk>, rhf23484@ggr.co.uk (Dr R H Fogh) writes:
|>     Dear netters,
|>     We came across a problem with our His H2 aromatic CH protons in a
|>     protein we are looking at. After 4-5 days at 35 deg and pH 7.5 in D2O,
|>     about half the intensity of these resonances had gone. Almost all the
|>     NH protons had exchanged after 6-8 hours at 25-45 at the beginning.
|>     This phenomenon is new to me, but then I have always done my NMR around
|>     pH 5 before.
|>     Is it possible / likely that you get an exchange with solvent of His H2
|>     protons under these conditions? Or if not, has anybody got an
|>     alternative explanation?
|> 
|>     Thanks for helping out.
|> 
|>     rhf23484@ggr.co.uk   (Rasmus Fogh, Glaxo, Verona).

Yes, it is likely you are getting exchange.  This phenomenon has
been seen and characterized before.  You may want to check out
the following references:

Ohe et al. (1974) J. Biochem. (Tokyo) 75, 1197-1200

Cass et al. (1977) Biochem. J. (1977) 165, 587-589

Good Luck.

Agustin Kintanar
Dept. of Biochemistry and Biophysics
Iowa State University

From owner-structural-nmr@net.bio.net Sat Dec 10 22:00:00 1994
Path: biosci!MUWAYF.UNIMELB.EDU.AU!kinetics_group
From: kinetics_group@MUWAYF.UNIMELB.EDU.AU (Kinetics Group)
Newsgroups: bionet.structural-nmr
Subject: John J. Fitzgerald
Date: 11 Dec 1994 14:34:06 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 12
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <01HKJUWWEQEQ005N3P@muwayb.ucs.unimelb.edu.au>
NNTP-Posting-Host: net.bio.net

                      Subject:                              Time:  9:18 AM
  OFFICE MEMO         John J. Fitzgerald                    Date:  12/12/94
Would anyone have the e-mail address of Prof. John J. Fitzgerald (formerly of
South Dakota State Uni) , the author of numerous Al-27 publications ?

Thanks in advance
Julian Salerno
Chemistry
Uni. Melbourne
AUSTRALIA 



From owner-structural-nmr@net.bio.net Tue Dec 13 22:00:00 1994
Path: biosci!BTURN.MED.YALE.EDU!yuxin
From: yuxin@BTURN.MED.YALE.EDU (Yuxin Hua)
Newsgroups: bionet.structural-nmr
Subject: Pulse Simulation Program
Date: 14 Dec 1994 08:53:45 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 8
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412141700.AA10497@bturn.med.yale.edu>
NNTP-Posting-Host: net.bio.net

Does anyone know where I can download a pulse simulation program
for sun, SGI or PCs? 
Any help is greatly appreciated.

Yuxin Hua

yuxin@bturn.med.yale.edu


From owner-structural-nmr@net.bio.net Thu Dec 15 22:00:00 1994
Path: biosci!ggr.co.uk!rhf23484
From: rhf23484@ggr.co.uk (Dr R H Fogh)
Newsgroups: bionet.structural-nmr
Subject: H/D exchange in His - RESUME
Date: 16 Dec 1994 05:04:29 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 17
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <19175.199412161255@mailhub.ggr.co.uk>
NNTP-Posting-Host: net.bio.net

    Dear Netters,

    Lots of answers on the H/D exchange of H2 in the His aromatic ring.
    The process is real, base-catalysed, works on the non-protonated form,
    and seems to be well known.
    References are :
    Ohe et al., (1974) J. Biochem (Tokyo) 75, 1197-1200
    Cass et al. (1977) Biochem J. 165, 587-589
    John Markley,(1975) Acc. Chem. Res. pp. 70-80
    Bradbury et al. ,(1980) JCS Perkin II, p. 693
    Vaughan et al., (1970) J. Org Chem 25, p1141.
    Kimura et al., (1979) Imt. J. Pept Prot Res. 14, pp472-478.
    Kimura et al., (1979) J. Biochem., 86, pp. 301-310
    Matsuo et al., (1972) J. Bioch. 72, pp. 1057-1060.

    Thanks to Agustin Kintanar, Muriel Delepierre, L. McIntosh, Ritsu
    Kondo, and many others.

From owner-structural-nmr@net.bio.net Thu Dec 15 22:00:00 1994
Path: biosci!rutgers!gatech!howland.reston.ans.net!usc!news.cerf.net!ccnet.com!ccnet.com!not-for-mail
From: jbrookes@ccnet.com (John Brookes)
Newsgroups: bionet.structural-nmr,bionet.xtallography
Subject: For Sale: HP MS Engine
Date: 14 Dec 1994 11:55:49 -0800
Organization: CCnet Communications (510-988-7140 guest)
Lines: 37
Message-ID: <3cnik5$np1@ccnet.ccnet.com>
NNTP-Posting-Host: ccnet
X-Newsreader: TIN [version 1.2 PL2]
Xref: biosci bionet.structural-nmr:332 bionet.xtallography:1390

HP MS Engine 5989-A with 
59940A HP Unix ChemStation
model 345C+ workstation with hi-res color
display. 
Options built-in:

Optical DAT drive
Laserjet III printer

Chemistry options installed:
negative ion detection
extended mass range 10-2000 amu
direct insertion probe
thermospray LC/MS
butterfly isolation valve mounted on diffusion pumps

spare parts, tools, desk, work table, chiller, diaphragm 
vacuum system

New cost about $200,000

Serious offers above $90,000 are solicited.
Please contact John Brookes via email or 1-510-428-0700.
Emeryville Analytical Equipment Co.
HP serice contract available.
Installation available.












From owner-structural-nmr@net.bio.net Thu Dec 15 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!news.sprintlink.net!sundog.tiac.net!cil.tiac.net!lynneb
From: lynneb@isotope.com (Lynne S. Batchelder)
Newsgroups: bionet.structural-nmr
Subject: CIL on the net
Date: Fri, 16 Dec 1994 10:10:16
Organization: Cambridge Isotope Laboratories
Lines: 11
Message-ID: <lynneb.3.000A2BCD@isotope.com>
NNTP-Posting-Host: cil.tiac.net
X-Newsreader: Trumpet for Windows [Version 1.0 Rev A]

I wanted to introduce myself to the newsgroup. We just got connected to the 
Internet here at Cambridge Isotope Labs and we are interested in applications 
of stable isotopes to biological NMR. I don't have any questions right now but 
I'm learning a lot from reading the postings here.

lynneb@isotope.com
Lynne Batchelder
Technical Services Manager
Cambridge Isotope Labs
508 749 8000
508 749 2768 (FAX)

From owner-structural-nmr@net.bio.net Sun Dec 18 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!news.sprintlink.net!pipex!uunet!news.iij.ad.jp!wnoc-tyo-news!wnoc-sfc-news!nscnews!yilnws!lab3.yamaha!hamamatsu-pc!niq0!nfeed.gw.nagoya-u.ac.jp!news.cc.nagoya-u.ac.jp!d43162a
From: d43162a@nucc.cc.nagoya-u.ac.jp (Toshiya Endo)
Newsgroups: bionet.structural-nmr
Subject: Re: H/D exchange of His 2-CH in proteins.
Followup-To: bionet.structural-nmr
Date: 19 Dec 1994 01:07:09 GMT
Organization: Faculty of Science, Nagoya University
Lines: 28
Distribution: world
Message-ID: <3d2mbt$9ok@news.cc.nagoya-u.ac.jp>
References: <20954.199412070925@mailhub.ggr.co.uk>
NNTP-Posting-Host: 133.6.54.68
X-Useragent: NewsAgent v1.482

In article <20954.199412070925@mailhub.ggr.co.uk>, rhf23484@ggr.co.uk (Dr R H Fogh) writes:
> 
>     Dear netters,
>     We came across a problem with our His H2 aromatic CH protons in a
>     protein we are looking at. After 4-5 days at 35 deg and pH 7.5 in D2O,
>     about half the intensity of these resonances had gone. Almost all the
>     NH protons had exchanged after 6-8 hours at 25-45 at the beginning.
>     This phenomenon is new to me, but then I have always done my NMR around
>     pH 5 before.
>     Is it possible / likely that you get an exchange with solvent of His H2
>     protons under these conditions? Or if not, has anybody got an
>     alternative explanation?

I was working on this phenomenon some time ago and wrote a paper which you may be interested in:

  Endo et al., (1983) Bull. Chem. Soc. Jpn. 56, 667-670.

It is a base-catalyzed reaction and the exchange occurs virtually only from the deprotonated form of His.  The exchange is sensitive 
to charges in the proximity of the imidazole ring as well as the pKa of the imidazole ring itself.





Toshiya Endo
Department of Chemistry, Faculty of Science
Nagoya University, Chikusa-ku, Nagoya 464-01, Japan
e-mail: d43162a@nucc.cc.nagoya-u.ac.jp (Toshiya Endo)

From owner-structural-nmr@net.bio.net Wed Dec 21 22:00:00 1994
Path: biosci!daresbury!not-for-mail
From: thep@risc1.lrm.fi.cnr.it (Pornthep Sompornpisut)
Newsgroups: bionet.structural-nmr
Subject: deposit the pdb structures
Date: 22 Dec 1994 14:33:44 -0000
Lines: 23
Sender: lpddist@mserv1.dl.ac.uk
Distribution: bionet
Message-ID: <3dc2o8$fr1@mserv1.dl.ac.uk>
Original-To: str-nmr@dl.ac.uk


Dear str-nmr researchers

Please excuse me if this message's bother you. Recently, we've done 3D-protien
structures through NMR. We'd like to deposit the structures in Protein Data
Bank. We've looked the pdb format but there're several thing to understand.
I'll be appreciated if anyone could suggest us what we have to do correctly
so that we won't loose the time. Our questions below are what we'd like to know
firstly.

  - Whom should we contact with (via e-mail)?
  - Where do we have to deposit our structures? It's pdb.pdb.bnl.gov, isn't it?
  - Are there any softwares from ftp sites which can manipulate the pdb format?
 (We have the coordinate files which are as same as pdb format. But it seems to
us that it needs to decribe more detail, for exmaple secondary structure.) 

Looking forward to seeing any suggestions.

Merry Chrismas

Pornthep



From owner-structural-nmr@net.bio.net Wed Dec 21 22:00:00 1994
Path: biosci!daresbury!not-for-mail
From: <FROSCH@MZDMZA.ZDV.UNI-MAINZ.DE>
Newsgroups: bionet.structural-nmr
Subject: H-1 shifts of complex-type carbohydrates
Date: 22 Dec 1994 19:07:30 -0000
Lines: 22
Sender: lpddist@mserv1.dl.ac.uk
Distribution: bionet
Message-ID: <3dcipi$an@mserv1.dl.ac.uk>
Original-To: str-nmr@dl.ac.uk

Dear Netters:

This is my first posting to this news group and
I have a question about the chemical shifts of
the H-1 atoms in complex-type carbohydrates.
I am especially interested in the question if there is
a difference to be expected in the ppm values of the
H-1 atoms of the terminal Gal residues of complex type
carbohydrates if these would be bound beta-1,3 instead
of the usual beta-1,4 linkage and how big this difference would be?
As far as I have figured out from literature (e.g. Vliegenthart et al.)
the typical values for H-1 of the terminal Gal, for the N-acetyllactosamine
type, are at about 4.47 ppm, but I have not found yet any typical values
for beta-1,3 linkages of the Gal residue to the preceding GlcNAc residue.

Does anybody know where to look up some details about this
problem or has anybody experience with these two
complex-type structures?

C. Frosch

Internet: frosch@mzdmza.zdv.uni-mainz.de

From owner-structural-nmr@net.bio.net Thu Dec 22 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!pipex!sunic!ugle.unit.no!marvin!sbp
From: sbp@marvin.mr.sintef.no (Steffen Petersen)
Newsgroups: bionet.structural-nmr
Subject: Carbohydrate Bioengineering Meeting
Date: 23 Dec 94 10:31:15 GMT
Organization: University of Trondheim, Norway
Lines: 238
Message-ID: <sbp.788178675@marvin>
NNTP-Posting-Host: marvin.mr.sintef.no
Summary: Meeting on carbohydrates and carbohydrate active enzymes
Keywords: carbohydrate,protein,enzyme

                                2ND ANNOUNCEMENT
                        CARBOHYDRATE BIOENGINEERING
		
		              April 23-26, 1995
                                Elsinore, Denmark

                                  Sponsors
        European Commission DGXII, European Congress of Biotechnology 5,
                       Novo Nordisk A/S, Denmark.
            Nordic Fund for Technology and Industrial Development


It is a pleasure for us to invite you to participate in the Carbohydrate Bioengineering Meeting scheduled for April 23-26, 1995, at the LO-School in Elsinore, Denmark. The meeting is also planned to be the first annual meeting for the EC Biotech Carbohydrate Active Enzyme Projects.

Over the last decade we have witnessed a virtual explosion in our knowledge about both the function and structure of carbohydrates as well as the proteins they are interacting with. We are convinced that it is both a timely and relevant activity to provide an international forum, where
we can discuss the latest research results with a particular emphasis on industrial and medical implications. It is becoming increasingly clear that carbohydrates and derivatives thereof have important roles in all biological systems. Many processes involving molecular recognition are either facilitated or modulated by carbohydrates. Concurrent with the revolution in microbiological techniques, we have available a host of new promising or significantly improved existing techniques for obtaining 3D structur
al information with high relevance for developing
a detailed molecular understanding of the often complex interaction between carbohydrates and the enzymes or proteins they interact with.

The Carbohydrate Bioengineering Meeting will aim at providing a forum where some of the foremost researchers in the area will present their latest results obtained and selected participants will be invited to give oral as well as poster presentations. We aim at providing a stimulating and open scientific atmosphere for both the established professionals in industry and academia as well as for students. Pending sponsorship we will try to offer reduced rates for a limited number of students.





The Organizing Committee

Sven Pedersen, Novo Nordisk, Denmark
Birte Svensson, Carlsberg Laboratory, Denmark
Steffen B. Petersen, SINTEF UNIMED,
MR-Center, Norway   
Scientific Advisory Board

R. Dwek, UK - B. Henrissat, F 
K. Bock, DK - J. Dordick, US  
R. Haser, F - O. Smidsr›d, N
T. Feizi, UK







Conference Secretariat:
    Mona K. Eidem
    SINTEF UNIMED, MR-Center
    N-7034 Trondheim, Norway
    Phone +47 73 99 77 00
    Fax +47 73 99 77 08
    (email: sbp@marvin.mr.sintef.no)




SCHEDULED LECTURES

Ali, Simi - UK
Targeted expression of microbial cellulases in transgenic animals

Andresen, Otto - DK 
Ethyl glucoside esters of fatty acids, a unique class of surfactants

Colman, Peter M. - AUS
Design and properties of carbohydrate-based inhibitor of influenza virus
neuraminidase

Davies, Gideon - UK 
Structures of fungal cellulases

Dijkhuizen, Lubbert - NL
Protein engineering of CGTase from Bacillus circulans strain 251

Dordick, Jonathan S. - USA
Chemoenzymatic modification of sugars and sugar derivatives for synthetic and
polymeric applications.

Driguez, Hugues - F
Thiooligosaccharides: Toys or Tools for the studies of glycanases

Feizi, Ten - UK  
New approaches to harnessing carbohydrate-mediated cell effector function

Hart, Gerald W. - USA  
Temporal glycosylation of nuclear and cytoskeletal proteins

Johnson, Louise N. - UK 
Enzyme-carbohydrate recognition for catalysis and drug design

Kofod, Lene V. - DK 
Application of  cloned monocomponent carbohydrases for modification of plant
materials

Kulbe, Klaus - A
On the continuous transformation of various mono- and disaccharides by
 unspecific oxidoreductases

Nilsson, Bo - S   
Analysis of protein glycosylation by mass spectroscopy

Paulson, James C. - USA 
Carbohydrate blockers of leukocyte mediated disease

Petersen, Steffen B. - N  
Electrostatic studies of carbohydrate active enzymes

Remaud-Simeon, M. - F 
Studies of recombinant amylosucrase

Robyt, John F. - USA  
Mechanism and action of glucansucrases

Rossi, MosŠ - I 
Properties, production, structure and applicative prospects of the  -glycosidase
isolated from extremophile Sulfolobus solfataricus

Schinzel, Reinhard - D 
Carbohydrate binding at the active site of E. coli maltodextrin phosphorylase

Schrempf, Hildgund - D
The chitinolytic system of Streptomyces olivaceoviridis

Sharon, Nathan - ISR
Glycans of glycoconjugates as modulatory and recognition molecules

Soetaert, Wim - D  
A wide range of carbohydrate modifications by a single microorganism:
Leuconostoc mesenteroides

Spener, Friedrich - D  
Development of a novel enzyme based glucose sensor

Svensson, Birte - DK   
Mutational analysis of catalytic mechanism and specificity in amylolytic
enzymes

de Taxis, du Poet, Ph. - B
The EC Biotech and the 4th Framework Programme

Teeri, Tuula - SF
Modes of action of two cellobiohydrolases from Trichoderma reesei.

van Halbeek, Herman - USA 
NMR studies of structure and dynamics of carbohydrates in solution.

Warren, Tony - CAN
Interactions of cellulases from Cellulomonas fimi with cellulose

Welinder, Karen G. - DK
Effects of glycosylation on protein folding, stability and solubility. Studies of
engineered and chemically modified fungal and plant peroxidases

Willmitzer, Lothar - D 
Transgenic plants as a tool to understand starch biosynthesis

Withers, Stephen G. - CAN   
Enzymatic cleavage of glycosides: How does it happen ?


-----------------------------------------------------------------------------


SOME IMPORTANT DATES


Payment:


Before January 20, 1995 - reduced registration and accomodation rate. Registration after January 20 is of course also possible, but at an increased rate, because the hotel reservations have to be confirmed on this date.

Registration fee:

Before Jan 20 : 4700 DKK - After Jan 20th 5500 DKK
The registration includes: Participation, proceedings to be published by 
Elsevier after december 95, accomodation (arr Apr. 23, dep apr. 26) including
all meals. If you are not interested in accomodation the registration fee is
2800 DKK - including proceedings and all meals.

Poster abstract deadline: 


March 1, 1995. Please submit a laserprint hardcopy of your poster abstract (approx. 1-2 A4 pages) in addition to a DOS diskette with the document written in WordPerfect or MS Word.


--------------------------------------------------------------------------

SESSION TOPICS :

Structure of Carbohydrates

Biological function and interaction is intimately linked to the 3D
structure and dynamics of the molecules involved. The carbohydrates
represent a special challenge because of their intrinsic flexibility and
complex structural features. This session will aim at providing an
overview of the current knowledge about the structure and dynamics
of carbohydrates.

Structure and function of Carbohydrate active enzymes

This session will focus on the structure function relationship of
carbohydrate active enzymes. With the ever-increasing number of 3D
structures that have been determined by X-ray diffraction analysis,
our understanding of the often intricate features of carbohydrate
active enzymes is also growing. A special emphasis will be given to
the structural interpretation of binding and catalysis of carbohydrates.

Applications of protein engineering

The protein engineering of carbohydrate metabolizing enzymes and
their application in glycotechnology will be discussed in this session.
The topics include analysis of structure/function relationships,
crystallographic analysis and modelling of enzyme-ligand complexes,
design and application of enzymes with altered specificity.

Carbohydrates in Medicine

Enzymatic modification/synthesis of therapeutic carbohydrates and
the mechanism of action of their biological activity are to be
discussed in this session. The session, as well as posters, intend to
cover both protein-bound saccharides as well as oligo-/poly-
saccharides and topics such as vaccine antigens, antivirals,
antibacterials and cell adhesion blockers.

Oligo- and Polysaccharides of industrial interest 

Production of novel oligosaccharides, that can be used for animal
feed to improve the animal's weight gain and health and for human
nutrition to provide calorie-reduced diets and to promote bifido-
bacteria growth are examples of topics for this session as well as
enzymatic modification of plant polysaccharides (gums).

Production of Carbohydrate containging new materials

Enzymatic synthesis of novel materials is the target for this session.
Examples are sugar-containing polymers, which are receiving
increasing attention as they may permit biocompatibility and
biodegradibility and surfactants such as alkylglucosides.


From owner-structural-nmr@net.bio.net Fri Dec 23 22:00:00 1994
Path: biosci!MAILBOX.SYR.EDU!wtwinter
From: wtwinter@MAILBOX.SYR.EDU ("William T. Winter")
Newsgroups: bionet.structural-nmr
Subject: Re: H-1 shifts of complex-type carbohydrates
Date: 23 Dec 1994 10:08:47 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 14
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.3.89.9412231353.A11508-0100000@mothra.syr.edu>
References: <3dcipi$an@mserv1.dl.ac.uk>

there is a very useful data base of 1H and 13C nmr data on carbohydrates 
and polysaccharides available from Albert van Kuik at Utrecht University.
The database  is interroragted by a program called SUGABASE and the 
package is available (free to academics).  Correspond with Dr. van Kuik at
kuik@boc.chem.ruu.nl
for further information.
The program is available in UNIX and Windows versions

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
Dr. William T. Winter                  Phone: (315)470-6876
315 Baker Lab                          FAX:   (315)470-6856
SUNY-ESF                               Internet: wtwinter@mailbox.syr.edu
Syracuse, NY 13210-2786 


From owner-structural-nmr@net.bio.net Mon Dec 26 22:00:00 1994
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: School of Biological Magnetic Resonance, 2nd course
Date: 27 Dec 1994 15:27:57 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 51
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412272328.AA01179@bioc01.uthscsa.edu>
NNTP-Posting-Host: net.bio.net

 International School of Biological Magnetic Resonance, 2nd Course:   
 "Dynamics & the Problem of Recognition in Biological Macromolecules"
 
                        May 19-30, 1995
 
          Ettore Majorana Centre for Scientific Culture,  
                      Erice, Sicily, Italy
 
 An advanced graduate course devoted to the analysis of the
 dynamic behavior of biological macromolecules by nuclear magnetic
 resonance.   
 
 10 days of lectures, workshops and tutorials w/~20 lecturers
 -  attendance limited to ~75 students.  Sponsored by FEBS, NATO
 and the sponsors of the Ettore Majorana Centre.
 
 Registration including full room and board during course:
 $1,000 US.  Some partial scholarships available.
 
 For information and/or registration contact either:
  holbrook@camis.stanford.edu  
 (Ms. Robin Holbrook, Course Administrative Assistant)
 
 or the Directors:
 Dr. Oleg Jardetzky (Email:  jardetzky@camis.stanford.edu
 Fax:  415/723-2253) or
 Dr. Jean-Francois Lefevre (Email:  lefevre@bali.u-strasbg.fr
 Fax:  +33/88 65 53 43)
 
-- 
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
   _/                                                                      _/
   _/                           C.S.RAMAN                                  _/
   _/                   Department of Biochemistry                         _/
   _/            University of Texas Health Science Center                 _/
   _/                     7703 Floyd Curl Drive                            _/
   _/                  San Antonio, TX 78284-7760                          _/
   _/                              USA                                     _/
   _/                                                                      _/
   _/                    Tel:     (210) 567-6623                           _/
   _/                    Fax:     (210) 567-6595                           _/
   _/                 E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                      _/
   _/                                                                      _/
   _/                                                                      _/
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/



From owner-structural-nmr@net.bio.net Tue Dec 27 22:00:00 1994
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: ISMAR-95
Date: 28 Dec 1994 10:19:31 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 72
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412281819.AA01526@bioc01.uthscsa.edu>
NNTP-Posting-Host: net.bio.net

Meeting Announcement:

Following is an update on plans for ISMAR-95, the 12th meeting of the 
International Society of Magnetic Resonance, to be held in Sydney,
Australia in 
July, 1995.

The program will commence at the Sydney Opera House on Sunday 16 July,
with a 
mixer and special session to commemorate the 50th anniversary of the
discovery 
of NMR, and continue at the University of Sydney from Monday 17 until
Friday 21 
July. Speakers who have accepted invitations include:

Paul Callaghan (Palmerston, NZ),        David Doddrell (Brisbane,
Australia),
Melinda Duer (Cambridge, UK),   Richard Ernst (Z^_rich, Switzerland),
Ray Freeman (Cambridge, UK),    Maurice Goldman (Gif-sur-Yvette,
France),
Erwin Hahn (Berkeley, USA),     Robin Harris (Durham, UK),
James Hyde (Milwaukee, USA),    Jean Jeener (Brussels, Belgium),
Lewis Kay (Toronto, Canada),    Carolyn Mountford (Sydney, Australia),
Ray Norton (Melbourne, Australia),      John Pilbrow (Melbourne,
Australia),
Alex Pines (Berkeley, USA),     Charles Springer (New York, USA),
Hal Swartz (Hanover, USA),      Takehiko Terao (Kyoto, Japan),
Keith Thulborn (Pittsburgh, USA),       Kamil Ugurbil (Minneapolis,
USA),
Warren Warren (Princeton, USA), John Waugh (Cambridge, USA),
Kurt W^_thrich (Z^_rich, Switzerland),  Nino Yannoni (San Jose, USA).

The deadline for submission of abstracts and normal registration is 1
April, 
1995. 

The social program will include a cruise on Sydney Harbour and dinner in

Sydney's historic Rocks area. Details of these events as well as
information on 
satellite meetings, travel opportunities in Australia and an extensive
range of 
accommodation options for the Conference are provided in the
registration 
brochure. Please contact me for your copy of the brochure or any other
general 
information about ISMAR-95.

Cheers
-raman
-- 
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
   _/                                                                      _/
   _/                           C.S.RAMAN                                  _/
   _/                   Department of Biochemistry                         _/
   _/            University of Texas Health Science Center                 _/
   _/                     7703 Floyd Curl Drive                            _/
   _/                  San Antonio, TX 78284-7760                          _/
   _/                              USA                                     _/
   _/                                                                      _/
   _/                    Tel:     (210) 567-6623                           _/
   _/                    Fax:     (210) 567-6595                           _/
   _/                 E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                      _/
   _/             Rien ne m'est seur que la chose uncertaine               _/ 
   _/                                                      -Villon         _/ 
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/



From owner-structural-nmr@net.bio.net Tue Dec 27 22:00:00 1994
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: Re:ISMAR-95 - correction...
Date: 28 Dec 1994 10:20:22 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 37
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9412281820.AA01535@bioc01.uthscsa.edu>
NNTP-Posting-Host: net.bio.net

The following information was left out from my previous post:

Please contact Dr. Bill Bubb for additional information:

Dr Bill Bubb

Secretary, ISMAR-95
Department of Biochemistry
University of Sydney
Sydney NSW 2006
Australia

Tel: +61-2-351-4120
Fax: +61-2-351-4726
E-mail: ismar95@biochem.su.oz.au
-- 
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
   _/                                                                      _/
   _/                           C.S.RAMAN                                  _/
   _/                   Department of Biochemistry                         _/
   _/            University of Texas Health Science Center                 _/
   _/                     7703 Floyd Curl Drive                            _/
   _/                  San Antonio, TX 78284-7760                          _/
   _/                              USA                                     _/
   _/                                                                      _/
   _/                    Tel:     (210) 567-6623                           _/
   _/                    Fax:     (210) 567-6595                           _/
   _/                 E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                      _/
   _/             Rien ne m'est seur que la chose uncertaine               _/ 
   _/                                                      -Villon         _/ 
   _/                                                                      _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/



