From owner-structural-nmr@net.bio.net Thu Aug 01 23:00:00 1996
Path: biosci!bcm.tmc.edu!pendragon!news.msfc.nasa.gov!news.sgi.com!enews.sgi.com!EU.net!Portugal.EU.net!news.rccn.net!scsing.switch.ch!swsbe6.switch.ch!news.belnet.be!infoserv.rug.ac.be!bionmr1!kris
From: kris@bionmr1.bionmr1.rug.ac.be (Kris Boulez)
Newsgroups: bionet.structural-nmr
Subject: Diana on Linux ?
Date: 2 Aug 1996 07:03:13 GMT
Organization: University of Ghent, Belgium
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Hello,

Has anyone gotten Diana, the structure calculation package from Prof. 
Wuthrich's group, to compile on Linux ? Which compiler/libraries were used ?


Kris,
--
Kris Boulez		(Kris.Boulez@rug.ac.be)
Biomolecular NMR unit	<http://bionmr1.rug.ac.be/~kris>
University of Ghent, Belgium

From owner-structural-nmr@net.bio.net Thu Aug 01 23:00:00 1996
Path: biosci!bcm.tmc.edu!pendragon!news.msfc.nasa.gov!news.sgi.com!enews.sgi.com!EU.net!Portugal.EU.net!news.rccn.net!scsing.switch.ch!swsbe6.switch.ch!news.belnet.be!infoserv.rug.ac.be!news
From: Kris Boulez <Kris.Boulez@rug.ac.be>
Newsgroups: bionet.structural-nmr
Subject: Diana on Linux ?
Date: Fri, 02 Aug 1996 09:08:41 +0200
Organization: University of Ghent, Belgium
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Hello,

Has anyone gotten Diana, the NMR structure calculation package from
Prof. Wuthrich's group, to compile on Linux ? Which versions of
compiler/libraries were used ?

Kris
-- 
Kris Boulez		(Kris.Boulez@rug.ac.be)
Biomolecular NMR unit	<http://bionmr1.rug.ac.be/~kris>
University of Ghent, Belgium

From owner-structural-nmr@net.bio.net Fri Aug 02 23:00:00 1996
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: Announcing ANSIG - Software for assigning Protein NMR spectra
Date: 2 Aug 1996 18:40:02 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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Distribution: world
Message-ID: <9608030139.AA04710@bioc01.uthscsa.edu>
NNTP-Posting-Host: net.bio.net

Dear str-nmr readers:

On behalf of Per Kraulis (author of Molscript and Ansig), I am posting
the following announcement regarding the program ANSIG.  Per had sent me
this posting a while back, but, due to an oversight on my part, was
unable to post the same.  My apologies to Per.

Cheers
-raman

Protein NMR software announcement:

The ANSIG (Assignment of NMR Spectra by Interactive Graphics) program,
release 3.3 is now available on the web. The entire documentation can
be browsed, and the complete distribution can be fetched. There are
two alternative sites (with identical content):

     http://nirvana.bioc.cam.ac.uk/     Follow the link "ANSIG v3.3".

     http://nmrsgi1.ncifcrf.gov/ansig/doc/ansig.html

ANSIG is a program for inspection and assignment of NMR 2D/3D/4D homo-
and heteronuclear spectra, mainly but not exclusively geared towards
proteins. Literature references: P.J. Kraulis et al, Biochemistry
(1994) v 33, pp 3515-3531, and P.J. Kraulis, J. Magn. Reson. (1989), v
24, pp 627-633.

The ANSIG program is *not* in the public domain. A signed license is
required. However, the program is free for academic institutions.

The distribution contains source code, library files, documentation
(in HTML format), and several matrix conversion programs. Two
different example data sets are available from the FTP sites.

The ANSIG program is written for the Silicon Graphics machines using
GL and Fortran 77 (the first version of the program was released in
1989). It will compile on IRIX 5.2 and 5.3 systems, and hopefully also
on 4.0.5 and 6.2 systems.

I thank Dr. Ernest Laue and Dr. Andrew Raine (Cambridge, UK) and
Dr. Andrew Byrd and Dr. Paul Dowling (ABL, NCI-FCRDC, USA) for making
space available to set up the web sites.
--
Per Kraulis, Ph.D.              phone: +46 (8) 695 78 34
Pharmacia & Upjohn Inc          fax:   +46 (8) 695 40 82
Biopharmaceuticals R&D, N62:5   e-mail: krpx@sgikrpe.sto.pharmacia.se
S-112 87 Stockholm                 or   p.j.kraulis@bioc.cam.ac.uk
SWEDEN
---------------------------------------------------------------------
"Nothing is more difficult than simplicity." Unattributed.

-- 
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
   _/                                                                  _/
   _/                       C.S.RAMAN                                  _/
   _/               Department of Biochemistry                         _/
   _/        University of Texas Health Science Center                 _/
   _/                 7703 Floyd Curl Drive                            _/
   _/              San Antonio, TX 78284-7760                          _/
   _/                          USA                                     _/
   _/                                                                  _/
   _/                Tel:     (210) 614-0839                           _/
   _/                Fax:     (210) 567-6595                           _/
   _/             E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                  _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                  _/
   _/   "The real problem in speech is not precise language.           _/ 
   _/    The problem is clear language."   --Richard Feynman           _/
   _/                                                                  _/          
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/


From owner-structural-nmr@net.bio.net Sat Aug 03 23:00:00 1996
Path: biosci!sfu.ca!dnaugler
From: dnaugler@sfu.ca (David Naugler)
Newsgroups: bionet.structural-nmr
Subject: Unstructured NMR question
Date: 4 Aug 1996 15:01:43 -0700
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Dear str-nmr readers:

Many interesting peptides are essentially unstructured or only partly
structured. A full treatment of dynamics and polymer statistics would be
of great interest. 

Could someone please recommend a recent review paper which would help me
proceed from NMR data to a thorough phys-chem treatment. So far I have
already done a great deal of homonuclear and heteronuclear 2D and 3D NMR.
I have been studying a 28 amino acid peptide fragment from the alpha
subunit of the nicotinic acetylcholine receptor which is only four amino
acids removed from the minimal epitope known as the Main Immunogenic
Region in the human autoimmune disease Myasthenia Gravis. 

Thanks in advance.

David Naugler
Institute of Molecular Biology and Biochemistry
Simon Fraser University

TEL: (604) 291-5657
FAX: (604) 291-5583

From owner-structural-nmr@net.bio.net Sat Aug 03 23:00:00 1996
Path: biosci!servaly.hobby.nl!wybo
From: wybo@servaly.hobby.nl (Wybo Dekker)
Newsgroups: bionet.structural-nmr
Subject: Re: Unsymmetrical amide NMR question
Date: 4 Aug 1996 00:55:46 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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NNTP-Posting-Host: net.bio.net

> 	I am desparately in need of a literature reference
> which states that N-methyl amides (-CONHCH3) show restricted rotation on
> the NMR timescale (You see two sets of peaks).  I have
> references which describe disubstituted amides.

Are you sure you are not just looking at the NH-CH3 coupling (~5 Hz)?

===================Servalys Analytical Chemistry Services=================
Wybo H. Dekker        | Deilsedijk 60                 | tel (31)345-652164
wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383

From owner-structural-nmr@net.bio.net Sun Aug 04 23:00:00 1996
Path: biosci!daresbury!bioftp.unibas.ch!ubaclu.unibas.ch!ubaclu.unibas.ch!nntp
Newsgroups: bionet.structural-nmr
Subject: NMR post-doctoral positions -> Biozentrum, U. Basel, Switzerland
Message-ID: <32066973.41C6@ubaclu.unibas.ch>
From: andrei <alexandrescu@ubaclu.unibas.ch>
Date: Mon, 05 Aug 1996 23:36:52 +0200
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Applications are invited for two Biomolecular-NMR post doctoral
positions in the Department of Structural Biology of the Biozentrum,
University of Basel - Switzerland. Persons who have received a Ph.D.
within the last 6 months, or who expect to receive their Ph.D. within 3
months are strongly preferred. 

One position is for a person with a technical NMR background.  The
applicant should have strong computational skills, and extensive
experience in programming multidimensional heteronuclear NMR pulse
sequences in a UNIX environment.

The second position is for an NMR spectroscopist with a molecular
biology background.  Applicants should ideally have hands-on experience
with PCR, mutagenesis, T7 expression systems, 13C/15N isotopic labeling,
and protein purification.

In addition, outstanding candidates with a primary interest in protein 
folding and original ideas on how to make progress with THE PROBLEM 
are also strongly encouraged to apply.

Our group's current research interests include:

1)  Folding and dynamics of non-homologous proteins that share an 
OB-fold structural motif.

2)  Protein engineering.

3)  Isotopically labeled peptides for NMR studies of
peptide-protein        
complexes.

4)  NMR structure determination.


NMR experiments will be carried out on a dedicated 600 MHz Varian 
Unity-Plus spectrometer, on which our group (3 NMR users) has 30 % 
measurement time.  This instrument is equipped with pulse field 
gradients, triple resonance probes, and 4 channels for multidimensional 
heteronuclear experiments.  An SGI Crimson, and INDY computer are 
available for NMR data processing and analysis.

Successful candidate should be highly motivated, and should have a 
track-record of original publications.

Interested and qualified applicants should send a C.V. as well as the 
names and addresses of 3 referees familiar with the applicant's work to: 

Dr. Andrei T. Alexandrescu
Biozentrum
University of Basel
Klingelbergstrasse 70
Basel/Switzerland
CH-4056

Tel: 41-61-267-2091
Fax: 41-61-267-2109

email: alexandrescu@ubaclu.unibas.ch 


Use of Fax or e-mail is appreciated, and will expedite responses to
inquiries.

From owner-structural-nmr@net.bio.net Sun Aug 04 23:00:00 1996
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: CALL FOR STRUCTURE PREDICTION TARGETS
Date: 5 Aug 1996 11:56:08 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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Hello everyone:

John Moult requested that I post the following to the STR-NMR community
in order to solicit structure prediction targets for CASP2.

Cheers 
-raman
----------------------------------------------------------------------------
               Appeal for Structure Prediction Targets  
               ---------------------------------------

To all Protein NMR Spectroscopists:

   As you probably know, the second Asilomar protein structure prediction
experiment (called CASP2) is well underway, with a prediction season
running until October 1, and a meeting in December.  The goal of the
experiment is to obtain as objective a view as possible of what current
protein structure prediction methods are or are not capable of. The
method used is to obtain information about soon to be solved structures
from experimentalists, to pass that on to the predictors, and to collect
their models before the structure becomes public. The first experiment,
held during 1994, produced a large amount of interesting and provocative
data. A special issue of PROTEINS (vol 23, no 3, November 1995) contains
papers describing the outcome.  There is also a recent 'Science'
'Research News' (vol 273, 426-428, 26 July, 1996) providing some more
background. We hope the second experiment will be as informative as the
first. In particular, a big question now is the extent to which the key
problems identified have been solved in the intervening two years. 

You can find out more about the whole process from two web sites: 

http://iris4.carb.nist.gov/casp2
http://www.mrc-cpe.cam.ac.uk/casp2

If you would like to be get the mailings associated with the experiment, 
please register there as 'interested'.

  So far, we have 78 groups registered as intending to make predictions. 35
teams took part last time, so we are on the way to doubling
participation. Indeed, at about the half way point in the prediction
season, in excess of 300 predictions have been received, more than double
the number obtained last time. 

  However, we are still short of prediction targets. In order to get
statistically meaningful results, it is important that there is a range
of targets predicted in each of the four categories (see below), so we
would like predictions on a total of around 50 proteins and protein
complexes, but so far have only 30. A number of the deadlines for
predictions on those have now passed, and so the number available to
predictors at this moment is only about 20. (Information about current 
and expired targets is available on the web sites.)

  Thus, the purpose of this message is to ask you to help with target
provision, if you can. The rules are spelled out on the general target request
below.  We need targets in all four categories, and with expiry dates between
quite soon and October 1.  We are particularly in need of relatively small
protein targets suitable for ab initio prediction methods, and hope that the
NMR community can be particularly helpful in that area. Even if you do not have
any targets available yourself, please pass this message on to other
experimentalists you think might be interested. If you have any queries about
what is involved in submitting a target, please send me a message. We cannot
make this experiment work without again the help of the experimental community. 

                                            John Moult.
                                            jmoult@indigo5.carb.nist.gov
 
-----------------------------------------------------------------------------

Announcement: Call for prediction targets for CASP2
===================================================

This is a call to X-ray crystallographers and NMR spectroscopists.

In 1994 the first protein structure prediction experiment was held to
evaluate prediction methods through blind prediction.  Details of about 33
protein sequences, which were expected to be solved before the end of 1994,
were submitted by experimentalists and this allowed 135 blind predictions
to be made by 35 different groups, and led to the most objective assessment
of prediction methods so far.  The results of the experiment are published
in the November 1995 issue of Proteins: Structure, Function, and Genetics.

This is the announcement of the second prediction experiment, which will
run throughout 1996 and culminate in an evaluation meeting in December.

As before, for the experiment to succeed, it is essential that we obtain
the help of the experimental community.  Therefore, we would like to invite
Protein crystallographers and NMR spectroscopists who expect to solve a
structure before 1st October 1996 to submit the sequence so that attempts
can be made to predict it before it is publically announced.  Each
prediction will be given a deadline  prior to the date on which the first
information about the structure is to be made public.

Targets of all sizes and types are required. Small structures (less than
100 residues) are needed to test some of the ab initio structure prediction
methods. Proteins with folds related to those of known structures are
needed to test fold identification methods.  Proteins with sequences
homologous to that of one or more known structures are needed to test
comparative modeling methods.  Protein-Protein and Protein-Ligand complexes
are required to test docking methods.

All that is requested is:

- the sequence or a sequence accession number of the protein

- an estimate of the likely date of public release (and updates if the work
proceeds faster or slower)

- a commitment to make the coordinates available to the independent
assessors not latter than 1st October should the structure be solved by
then.

Any coordinates provided will be treated with strict confidentiality as
requested and used only to evaluate the accuracy of predictions.

For further information and on-line forms and documents see:

        http://iris4.carb.nist.gov/casp2/
        http://www.mrc-cpe.cam.ac.uk/casp2/

A Target protein submission form is also attached to this message and can
be mailed to casp2@mrc-lmb.cam.ac.uk

Tim Hubbard         Co-chair  Centre for Protein Engineering, Cambridge, UK.
Steve Bryant        Co-chair  NCBI, National Library of Medicine, USA.
John Moult          President CARB, University of Maryland, USA.
Jan T. Pedersen               CARB, University of Maryland, USA
Krzysztof Fidelis             Lawrence Livermore National Laboratory, USA.
Richard  Judson               Sandia National Laboratory, USA.

-------------------------------------------------------------------------
CASP2: Second Meeting on the Critical Assessment of Techniques
for Protein Structure Prediction

Target submission form
======================

Instructions for completing this form
-------------------------------------

(0) Please only use this form if you are unable to complete the WWW version at
    http://iris4.carb.nist.gov/casp2/ or http://www.mrc-cpe.cam.ac.uk/casp2/
(1) Save this page as a text file
(2) Complete all sections
(3) send by email to casp2@mrc-lmb.cam.ac.uk
(4) if you have filled out the form correctly, you should receive an
    email acknowledgement (though not necessarily immediately)



cut here
-------------------------------------------------------------------------
CASP2: Second Meeting on the Critical Assessment of Techniques
for Protein Structure Prediction

Target submission form
======================

This is the text version of the Prediction target submission form for
the Second Critical Assessment Techniques for Protein Structure
Prediction Experiment (CASP2).

Introduction
============

Protein crystallographers and NMR spectroscopists are asked to provide
details of structures they expect to have solved before 1st October
1996 using this form.

Targets of all sizes and types are required. Small structures (less
than 100 residues) are needed to test some of the ab initio structure
prediction methods. Proteins with folds related to those of known
structures are needed to test fold recognition methods.  Proteins with
sequences homologous to that of one or more known structures are
needed to test comparative modelling methods.

To be useful to the predictors, a period of at least a month is
required before any details of the structure will be released. Please
notify us immediately when the details are going to be made public, so
that we can ask the predictors to stop work in a timely manner.  This
can be done by sending a mail to casp2@mrc-lmb.cam.ac.uk.

In order for the predictions to be assessed in time for the meeting in
December, we will need a set of co-ordinates by the beginning of
October at the latest. If necessary, these can be for limited
distribution until the meeting.

A. Scientific information
=========================

1. [                         ] Protein Name

2. [                         ] Organism Name

3. [        ] Number of amino acids (does not need to be exact)

Please provide accession number and database of the protein or the actual
sequence (both if possible).

4. [                         ] Accession number

5. Sequence Database
   [ ] Swiss-prot  [ ] PIR  [ ] Genbank  [ ] EMBL  [ ] Other [               ]

6. Amino acid sequence











One letter code (ACEDFTK) is preferred, but three letter code (ala cys glu asp)
can also be processed.

7. Are there homologous sequences of known structure to this protein?
                                                            Yes [ ] No [ ]

8. Current state of the experimental work

Please describe briefly where things are at. The more information, the
easier it is for a modeler to decide whether to predict your structure.
For example, protein supply? interpretable NMR spectra? 





















9. Do you already have a set of NOE assignments?               Yes [ ] No [ ]

10. [                         ] Estimated date of obtaining an initial 
structure. 
(In order to assess the predictions before the meeting, this date
should be before 1st October 1996.)

11. [                         ]  Estimated date of public release of structure

12. If you have any other useful information about this sequence
family please enter it below












B. Administrative information
=============================

13. [                         ] Name

14. Mailing address:

    [




                                                                      ]

15. [                         ] Tel

16. [                         ] Fax

17. [                         ] Email

18. How did you hear about this prediction experiment?
    [ ] Nature Add  [ ] Poster  [ ] Newsgroup  [ ] Email
    [ ] Other  [                                       ]

-------------------------------------------------------------------------
-- 
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
   _/                                                                  _/
   _/                       C.S.RAMAN                                  _/
   _/               Department of Biochemistry                         _/
   _/        University of Texas Health Science Center                 _/
   _/                 7703 Floyd Curl Drive                            _/
   _/              San Antonio, TX 78284-7760                          _/
   _/                          USA                                     _/
   _/                                                                  _/
   _/                Tel:     (210) 614-0839                           _/
   _/                Fax:     (210) 567-6595                           _/
   _/             E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                  _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                  _/
   _/   "The real problem in speech is not precise language.           _/ 
   _/    The problem is clear language."   --Richard Feynman           _/
   _/                                                                  _/          
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/


From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!agate!howland.reston.ans.net!surfnet.nl!swsbe6.switch.ch!scsing.switch.ch!rzunews.unizh.ch!NewsWatcher!user
From: zjons@vetbio.unizh.ch (Zophonias O. Jonsson)
Newsgroups: bionet.xtallography,bionet.structural-nmr
Subject: Protein expression in D2O
Date: Tue, 06 Aug 1996 10:29:56 +0000
Organization: Universitat Zurich-Irchel
Lines: 23
Message-ID: <zjons-0608961029560001@130.60.120.10>
NNTP-Posting-Host: 130.60.120.10
Xref: biosci bionet.xtallography:2783 bionet.structural-nmr:1426

Dear friends!

  We want to get large amounts of deuteriated protein by expression in
E.coli grown in D2O (for neutron scattering experiments).  Because of the
price of the substance we would be very thankful for any advice that could
save us experimentation.  A simple medline search revealed only one paper
on the subject.  If you have any experience, protocols or references that
could be of help we would be very happy.  Even educated guesses about what
to use as a carbon source for the bacteria would be helpful (as well as
other tips about other components of a suitable growth medium).

Sincerely

Zophonias

_____________________________________________________________________
Zophonias O. Jonsson
Institut fur Veterinarbiochemie               Tel: (41-1)-257-54-75
Universitat Zurich-Irchel                     Fax: (41-1)-362-05-01
Winterthurerstrasse 190
CH-8057 Zurich
Switzerland
_____________________________________________________________________

From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!agate!newsgate.duke.edu!solaris.cc.vt.edu!homer.alpha.net!uwm.edu!chi-news.cic.net!news.luc.edu!orion!csriniv
From: csriniv@orion.it.luc.edu (Chandra Srinivasan)
Newsgroups: bionet.structural-nmr
Subject: Postdoctoral Position
Date: 6 Aug 1996 04:56:50 GMT
Organization: Loyola University Chicago
Lines: 11
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X-Newsreader: TIN [version 1.2 PL2]

August 5, 1996


POSTDOCTORAL POSITION available immediately to investigate the
pharmacological action of lithium in the treatment of manic-depression in
NIMH-funded project.  One year appointment that can be extended for a
second year subject to performance.  Experience in NMR spectroscopy and
biochemical methods preferred.  Send c.v. and three letters of
recommendation to Professor Duarte Freitas, Department of Chemistry,
Loyola University, 6525 North Sheridan Road, Chicago, IL 60626.


From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!agate!newsxfer2.itd.umich.edu!newsfeed.internetmci.com!in3.uu.net!news2.digex.net!usenet
From: numare@cnj.digex.net
Newsgroups: bionet.xtallography,bionet.structural-nmr
Subject: Re: Protein expression in D2O
Date: Tue, 06 Aug 96 16:09:39 PDT
Organization: Express Access Online Communications, USA
Lines: 65
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Xref: biosci bionet.xtallography:2785 bionet.structural-nmr:1430





In article <zjons-0608961029560001@130.60.120.10>, <zjons@vetbio.unizh.ch> 
writes:
> Path: 
news2.digex.net!howland.reston.ans.net!surfnet.nl!swsbe6.switch.ch!scsing.switc
h.ch!rzunews.unizh.ch!NewsWatcher!user
> From: zjons@vetbio.unizh.ch (Zophonias O. Jonsson)
> Newsgroups: bionet.xtallography,bionet.structural-nmr
> Subject: Protein expression in D2O
> Date: Tue, 06 Aug 1996 10:29:56 +0000
> Organization: Universitat Zurich-Irchel
> Lines: 23
> Message-ID: <zjons-0608961029560001@130.60.120.10>
> NNTP-Posting-Host: 130.60.120.10
> Xref: news2.digex.net bionet.xtallography:2680 bionet.structural-nmr:1362
> 
08 August 1996, Tuesday, 1625 EDT

Dear Zophonias,

	Don't know about specifice techniques or lit. refs., however,
to save funds, why not setup your laboratory as a clearing house for spent
deuterium oxide?  Seems ashame that this expensive material is most often 
discarded after use as NMR solvent.  Simple filtration and distillation
would return it to usable form for your laboratory to use.  
	I imagine that if you offered to pay for shipping, you might very soon
have all the D2O that you will ever need. 

Good luck, 
Best regards,

Lawrence Byrnes,  NMR spectroscopist,
Numare Spectralab Incorporated,
email    numare@cnj.digex.net
www      http://www.cnj.digex.net/~numare/

> Dear friends!
> 
>   We want to get large amounts of deuteriated protein by expression in
> E.coli grown in D2O (for neutron scattering experiments).  Because of the
> price of the substance we would be very thankful for any advice that could
> save us experimentation.  A simple medline search revealed only one paper
> on the subject.  If you have any experience, protocols or references that
> could be of help we would be very happy.  Even educated guesses about what
> to use as a carbon source for the bacteria would be helpful (as well as
> other tips about other components of a suitable growth medium).
> 
> Sincerely
> 
> Zophonias
> 
> _____________________________________________________________________
> Zophonias O. Jonsson
> Institut fur Veterinarbiochemie               Tel: (41-1)-257-54-75
> Universitat Zurich-Irchel                     Fax: (41-1)-362-05-01
> Winterthurerstrasse 190
> CH-8057 Zurich
> Switzerland
> _____________________________________________________________________
> 



From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!ASCARIS.HEALTH.UFL.EDU!art
From: art@ASCARIS.HEALTH.UFL.EDU (Art Edison)
Newsgroups: bionet.structural-nmr
Subject: USA/FL Postdoc position in biological NMR
Date: 6 Aug 1996 11:45:58 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 37
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <199608061846.OAA03720@ascaris.health.ufl.edu>
NNTP-Posting-Host: net.bio.net

Postdoctoral positions at the University of Florida and NHMFL

I have one or two  postdoctoral positions available in my laboratory.   
The major emphasis of the lab is the use of structural biology to
solve exciting neurobiological problems.  Thus, I am interested in people
with backgrounds in biological NMR, molecular biology, protein expression,
or neurobiology.  Combinations of these backgrounds is desirable.
We are currently working on the following projects:

1. NMR structure determination of neuropeptide precursor proteins.

2. Expression of a neuropeptide-gated sodium-channel receptor for TRNOE 
conformational studies of the peptide ligand. 

3. TRNOE studies of multiple neuropeptide ligands to a membrane extract 
containing identified receptors.

My lab is well-equipped to make proteins, and we have 50-75% time on
a fully-equipped 600MHz instrument.  In addition, I am a member of the 
National High Magnetic Field Laboratory (NHMFL), so the successful candidate
will have full access to facilities at the NHMFL, including 500, 600, and 
720 MHz spectrometers.

For further information, please contact me be e-mail.  Please send applications 
(letter of interests, CV, and 3 letters of recommendation) to:
*******************************************************
Arthur S. Edison, Ph.D.
Department of Biochemistry and Molecular Biology
Center for Structural Biology
Box 100245
University of Florida
Gainesville, FL 32610-0245

352-392-4535 (ph)
352-392-3422 (fax)
e-mail: art@ascaris.health.ufl.edu
*******************************************************

From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!daresbury!is.bbsrc.ac.uk!news.ox.ac.uk!ocms0001
From: ocms0001@ermine.ox.ac.uk (Dennis Benjamin)
Newsgroups: bionet.xtallography,bionet.structural-nmr
Subject: Re: Protein expression in D2O
Followup-To: bionet.xtallography,bionet.structural-nmr
Date: 6 Aug 1996 11:03:02 GMT
Organization: Oxford University, England
Lines: 12
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References: <zjons-0608961029560001@130.60.120.10>
NNTP-Posting-Host: ermine.ox.ac.uk
X-Newsreader: TIN [version 1.2 PL2]
Xref: biosci bionet.xtallography:2784 bionet.structural-nmr:1428

Zophonias O. Jonsson (zjons@vetbio.unizh.ch) wrote:
: save us experimentation.  A simple medline search revealed only one paper
: on the subject.  If you have any experience, protocols or references that

Don't know whether you already found this one, but

Vanatalu et. al. Eur. J. Biochem. 216,315-321 (1993)

discusses Knud Nierhaus' approach to preparing deuterated ribosomes for
neutron scattering. Seems like it would be applicable to soluble proteins
as well.


From owner-structural-nmr@net.bio.net Mon Aug 05 23:00:00 1996
Path: biosci!agate!howland.reston.ans.net!vixen.cso.uiuc.edu!uwm.edu!spool.mu.edu!torn!news.ccs.queensu.ca!kone!nott!standby.nrc.ca!BRI.NRC.CA!Feng.Ni
From: Feng.Ni@BRI.NRC.CA (Feng Ni)
Newsgroups: bionet.structural-nmr
Subject: RESEARCHER POSITIONS IN PROTEIN NMR SPECTROSCOPY
Date: 5 Aug 1996 22:22:48 GMT
Organization: Institut de recherche en biotechnologie, Montréal
Lines: 44
Distribution: world
Message-ID: <4u5s7o$6a2@standby.nrc.ca>
NNTP-Posting-Host: bravais.bri.nrc.ca


                RESEARCHER POSITIONS IN PROTEIN NMR SPECTROSCOPY

The NMR laboratory of the Biotechnology Research Institute (BRI) have openings
for self-motivated young researchers in the area of biomolecular/protein NMR
spectroscopy.  Candidates should have a recent Ph.D. in chemistry, biochemistry
or a related field and have demonstrated abilities in carrying out creative
research.  Experiences include the determination of protein structures and/or
the study of protein-ligand interactions by use of triple resonance and multi-
dimensional NMR spectroscopy.  Knowledge in isotope labelling and protein/pep-
tide purification is an important asset.

Successful candidates will normally start in the postdoctoral level, or
depending on qualifications, may be recruited directly to more senior positions
offerred by the National Research Council of Canada.  The Research Council
offers competitive salaries and other compensation packages commensurate upon
your experience and appointment levels.

The NMR laboratory at BRI is equipped with one Bruker AMX2-500 MHz spectrometer
and shares a Bruker DRX-500 MHz spectrometer with members of the Montreal Joint
Centre for Structural Biology.  A new state-of-the-art 750 MHz NMR instrument
will be added to the facility within the coming year.  NMR researchers also
have access to excellent computing facilities and work in multidisciplinary
teams with expertise in molecular biology, protein/peptide chemistry, molecular
design and structural biology.

The Biotechnology Research Institute (BRI) is a branch of the National Research
Council of Canada, interfacing academia and industry.  Your challenge at BRI
will be to succeed in high-impact scientific research while generating prac-
tical applications transferable to pharmaceutical industry.  Qualified indivi-
duals are invited to submit your resume, along with the names and addresses of
three references, to:

               Feng Ni, Ph.D.
               Head of Biomolecular NMR
               Biotechnology Research Institute
               6100 Royalmount Avenue
               Montreal, Quebec, H4P 2R2, Canada
               phone: (514)-496-6729; fax: (514)-496-5143
               e_mail: fengni@bri.nrc.ca

Applications will be accepted until the positions are filled.  We thank all
applicants for their interests, however, only those being considered will be
contacted.

From owner-structural-nmr@net.bio.net Tue Aug 06 23:00:00 1996
Path: biosci!daresbury!lyra.csx.cam.ac.uk!news.ox.ac.uk!nmrsjm.ocms!sjm
From: sjm@bioch.ox.ac.uk (Stephen Matthews)
Newsgroups: bionet.structural-nmr
Subject: POSTDOC POSITION IN LONDON
Date: 7 Aug 1996 10:46:14 GMT
Organization: Oxford University
Lines: 16
Message-ID: <4u9s5m$seh@news.ox.ac.uk>
NNTP-Posting-Host: nmrsjm.ocms.ox.ac.uk


Imperial College is presently strengthening structural biology.  
In addition to augmenting X-ray and electron diffraction expertise a 
biological NMR facility is being installed within the biochemistry department. 
Applications are invited for a postdoctoral position within this 
Wellcome funded laboratory.   The position is available from January 1 1997 
and will run for at least three years.  Applicants should have several 
years experience of NMR and knowledge of applications in macromolecular 
structure determination. NMR spectroscopists from any discipline who wish to
move in a biological direction are also encouraged to apply.

A CV, list of publications, summary of research achievements and aims should 
be sent to Dr Stephen Matthews, Department of Biochemistry, Imperial College 
of Science Technology and Medicine, South Kensington, London SW7 2AY. 
Tel 44 (0)171 594 5315, email sjm@bioch.ox.ac.uk


From owner-structural-nmr@net.bio.net Tue Aug 06 23:00:00 1996
Path: biosci!agate!newsxfer2.itd.umich.edu!newsfeed.internetmci.com!in3.uu.net!ott.istar!istar.net!tor.istar!east.istar!news.nstn.ca!thor.atcon.com!apollo.isisnet.com!eru.mt.luth.se!news.kth.se!news
From: Arne Elofsson <arne@rune.biokemi.su.se>
Newsgroups: bionet.structural-nmr
Subject: Re: Diana on Linux ?
Date: 07 Aug 1996 11:41:28 +0200
Lines: 25
Message-ID: <ygbrapj7cqf.fsf@rune.biokemi.su.se>
References: <3201A979.41C6@rug.ac.be>
NNTP-Posting-Host: rune.biokemi.su.se
Mime-Version: 1.0
Content-Type: text/plain; charset=iso-8859-1
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To: Kris.Boulez@rug.ac.be
X-Newsreader: Gnus v5.2.37/XEmacs 19.14

Kris Boulez <Kris.Boulez@rug.ac.be> writes:

> 
> Hello,
> 
> Has anyone gotten Diana, the NMR structure calculation package from
> Prof. Wuthrich's group, to compile on Linux ? Which versions of
> compiler/libraries were used ?
> 
Just for fun, I compiled diana and it worked without any problems
(I deleted the timing but who cares about that) I used gcc-2.7.2 and
g77-0.5.18 the binary is available from
http://www.biokemi.su.se/~arne/export/diana 

However I have not tested it since I haven't used diana in years

Hope this helps


arne

-- 
-----------------------------------------------------------------
      From: Arne Elofsson         Email: arne@rune.biokemi.su.se
      Tel:+46(0)8-161553   WWW:  http://www.biokemi.su.se/~arne/

From owner-structural-nmr@net.bio.net Wed Aug 07 23:00:00 1996
Path: biosci!daresbury!not-for-mail
From: ramakrishna <rama@ether.chem.iitb.ernet.in>
Newsgroups: bionet.structural-nmr
Subject: test
Date: 8 Aug 1996 05:50:17 +0100
Lines: 2
Sender: lpddist@mserv1.dl.ac.uk
Distribution: bionet
Message-ID: <4ubrm9$f6u@mserv1.dl.ac.uk>
MIME-Version: 1.0
Original-To: Structural-nmr group <str-nmr@dl.ac.uk>

this is a test mail.


From owner-structural-nmr@net.bio.net Thu Aug 08 23:00:00 1996
Path: biosci!biosci!not-for-mail
From: Petar_Stojadinovic@sequana.com (Petar Stojadinovic)
Newsgroups: bionet.biophysics,bionet.genome.chromosomes,bionet.neuroscience,bionet.protista,bionet.software,bionet.software.acedb,bionet.software.gcg,bionet.software.srs,bionet.software.staden,bionet.software.x-plor,bionet.structural-nmr,bionet.toxicology,bionet.users.addresses,bionet.women-in-bio,bionet.xtallography
Subject: Clinical Lab Automation & Development, Computational Biology,Biotech Engineering
Date: 8 Aug 1996 22:36:25 -0700
Organization: Sequana Therapeutics, Inc.
Lines: 13
Sender: biohelp@net.bio.net
Distribution: world
Message-ID: <Petar_Stojadinovic-0508961929310001@198.207.137.191>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.biophysics:2205 bionet.genome.chromosomes:1303 bionet.neuroscience:15213 bionet.protista:584 bionet.software:16272 bionet.software.acedb:956 bionet.software.gcg:1948 bionet.software.srs:286 bionet.software.staden:221 bionet.software.x-plor:680 bionet.structural-nmr:1434 bionet.toxicology:849 bionet.users.addresses:3079 bionet.women-in-bio:5326 bionet.xtallography:2789

Wanted: Abstracts, Interested members to Join Engineers in Biotechnology
Subchapter of Assoc. of Laboratory Automation (ALA) or ICAR in Europe.
please send email to :
petar@sequana.com

PS: Do you know how I may enter a new newsgroup in alt as alt.biotech.engineers?
Thank you.

Petar Stojadinovic
Sequana Therapeutics Inc.
Engineering Dept.
Phone: 619-6468263
email: petar@sequana.com

From owner-structural-nmr@net.bio.net Sun Aug 11 23:00:00 1996
Path: biosci!GUITAR.ROCKEFELLER.EDU!ilya
From: ilya@GUITAR.ROCKEFELLER.EDU (Ilya Vakser)
Newsgroups: bionet.structural-nmr
Subject: Announcement - protein docking program GRAMM
Date: 12 Aug 1996 15:16:26 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 92
Sender: daemon@net.bio.net
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NNTP-Posting-Host: net.bio.net

-----------
GRAMM v1.03
-----------

This note is to announce the availability of GRAMM (Global RAnge 
Molecular Matching) software. GRAMM is a program for protein docking. To 
predict the structure of a complex, it requires only the atomic 
coordinates of the two molecules (no information about the binding sites 
is needed). The program performs an exhaustive 6-dimensional search 
through the relative translations and rotations of the molecules. The 
molecular pairs may be: two proteins, a protein and a smaller compound, 
two transmembrane (TM) helices, etc. GRAMM may be used for high-
resolution molecules, for inaccurate structures (where only the gross 
structural features are known), in cases of large conformational 
changes, etc.

The Global Range Molecular Matching (GRAMM) methodology is an empirical 
approach to smoothing the intermolecular energy function by changing the 
range of the atom-atom potentials. The technique allows to locate the 
area of the global minimum of intermolecular energy for structures of 
different accuracy. The quality of the prediction depends on the 
accuracy of the structures. Thus, the docking of high-resolution 
structures with small conformational changes yields an accurate 
prediction, while the docking of ultralow-resolution structures will 
give only the gross features of the complex.

_________________

I am making GRAMM publicly available following a number of requests from 
different labs. I would like to make it clear, however, that both the 
methodology and the program, at present, are in the process of active 
development and validation, especially in the area of the low-resolution 
docking, and have to be viewed like that. The program is free. However, 
I would expect proper references. I will also appreciate bug reports. To 
get GRAMM, send the request to ilya@guitar.rockefeller.edu. The GRAMM 
site on the Web is http://guitar.rockefeller.edu/. 

GRAMM was created during my stay in the Weizmann Institute (1991-1993), 
in the Washington University (1993-1995), and in the Rockefeller 
University (1995-1996). I deeply appreciate the assistance of my 
colleagues in all these institutions (especially, Profs. Ephraim 
Katchalski-Katzir, Garland Marshall, and Andrej Sali).

Platforms

Presently, GRAMM is compiled on SGI R4000, SGI R4400, SGI R8000, and SGI 
R10000 Unix workstations. In the near future I will expand this list, so 
check the GRAMM site for the updates. Interestingly, GRAMM also works on 
a PC platform under Windows95 (the performance on P5-120 with 16 MB RAM 
is only two times slower than on SGI 250 MHZ Indigo2 R4400).

Papers on GRAMM methodology

* E. Katchalski-Katzir, I. Shariv, M. Eisenstein, A. A. Friesem, C.
  Aflalo, I. A. Vakser, 1992, Molecular surface recognition:
  Determination of geometric fit between proteins and their ligands by
  correlation techniques, Proc. Natl. Acad. Sci. USA, 89, 2195-2199.
  (Basic algorithm of protein recognition by correlation technique with
  Fast Fourier transform. High-resolution 'geometric' docking).

* I. A. Vakser, C. Aflalo, 1994, Hydrophobic docking: A proposed
  enhancement to molecular recognition techniques, Proteins, 20,
  320-329. (High-resolution 'hydrophobic' docking).

* I. A. Vakser, G. V. Nikiforovich, 1995a, Protein docking in the
  absence of detailed molecular structures, in: Methods in Protein
  Structure Analysis (M. Z. Atassi & E. Appella, eds.), Plenum Press,
  New York, pp. 505-514.

* I. A. Vakser, 1995b, Protein docking for low-resolution structures,
  Protein Eng., 8, 371- 377. ('Low-resolution' protein docking).

* I. A. Vakser, 1996a, Long-distance potentials: An approach to the
  multiple-minima problem in ligand-receptor interaction, Protein Eng.,
  9, 37-41. (Interpretation of the low-resolution docking in terms of
  energy potentials).

* I. A. Vakser, 1996b, Low-resolution docking: Prediction of complexes
  for underdetermined structures, Biopolymers, in press (39, No.3).
  (Validation of the low-resolution docking).

* I. A. Vakser, 1996c, Main-chain complementarity in protein-protein
  recognition, Protein Eng., in press (9, No.7). (Docking of Ca
  structures).

------------------------------------------------------------------------
Ilya A. Vakser
The Rockefeller University, Box 270
1230 York Avenue, New York, NY 10021
Phone: (212) 327-7206; Fax: (212) 327-7540
Email: ilya@guitar.rockefeller.edu
------------------------------------------------------------------------

From owner-structural-nmr@net.bio.net Sun Aug 11 23:00:00 1996
Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer
From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer)
Newsgroups: bionet.structural-nmr
Subject: H2O sidebands
Date: 12 Aug 1996 13:58:46 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 18
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.SUN.3.91.960812164638.16493D-100000@phoenix.princeton.edu>
NNTP-Posting-Host: net.bio.net


Dear Netters,
One of our users has experienced strange sidebands flanking the residual 
water signal using presaturation of about 250 Hz distance.  THey are not 
very large, but are comparable with protein resonances at the millimolar 
range.  This happened on our 600 MHz Varian.  Any hints?
Thanks, best regards,
Istvan

wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww
Istvan Pelczer, Ph.D.		       		Email: ipelczer@princeton.edu
Senior NMR Spectroscopist
Princeton University
Department of Chemistry			 		 ph#  (609) 258 2342
Frick Laboratory					fax#  (609) 258 6746
Washington Road
Princeton,  NJ 08544


From owner-structural-nmr@net.bio.net Mon Aug 12 23:00:00 1996
Path: biosci!biosci!not-for-mail
From: jmack@acpub.duke.edu (Joseph Mack)
Newsgroups: bionet.xtallography,bionet.structural-nmr,misc.forsale.computers.workstation,misc.forsale.computers.other.systems,comp.os.linux.hardware,triangle.forsale
Subject: Announce: Group Purchase of DEC Alpha Lite Linux Boxes $750
Date: 13 Aug 1996 11:50:17 -0700
Organization: Duke University, Durham, NC, USA
Lines: 128
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <4untjf$nf4@news.duke.edu>
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Xref: biosci bionet.xtallography:2794 bionet.structural-nmr:1439 misc.forsale.computers.workstation:34350 misc.forsale.computers.other.systems:13838 comp.os.linux.hardware:51971

Subject: Group purchase of DEC Multia Unix Box for $750

	We at Duke are currently using 8 of these running
pvm3 to do parallel processing. They are a general purpose
unix box (complete specs/info available from DEC at 
http://www.digital.com:80/.i/info/udb/). At a price of $750
you can use these as a cheap home computer, as a gateway,
www server or print server.

	DEC liquidated the last 8000 of these Jul 1 and they
are now available on the surplus market. A local store Computer 
Outlet (Durham, NC, 919-361-9878, fax 919-544-0794, contact person
Eric Westrom) is willing to do a group purchase of these machines
at $750 ea. I believe that these machines cost DEC $1700 to produce.
	
	The computer is small (about the size of a telephone
book for a town of 100,000 people), single board, and uses IBMPC
style peripherals and connectors.

	The version available for the group purchase has:

166 MHz 21066 Alpha chip (approx equal to 100MHz Pentium for integer, 
                                     better for floating point)
PCI bus, one slot (small, we're using that slot for a 100Mbit ether card)
64 bit bus width (approx, there are parity and other lines)
24M memory (72pin 70nsec SIMMS) expandable to 128M
340M internal scsi disk, 1.44M floppy drive
on board: graphics accelarator (1280x1024, 2M VRAM) VGA connector, 
         scsi II controller and scsiII external connector, 
         parallel and serial ports, 
         PS/2 keyboard connector,
         10Mbit ethercard (twisted pair, AUI and BNC ports).

	You will need to supply a mouse, keyboard and monitor.

	Memory upgrades will be available at current prices
(which are running about $85 for parity 8M SIMMS, $65 for non-parity,
for $16M SIMMS, $135/$125).

	The machine runs Craftwork Linux (we're using v2.1AXP,
with Linux kernel 1.3.89, which we have upgraded to 2.0.x. Craftwork
is expecting to release v2.2AXP Sept 1, with Linux kernel v2.0.x, 
projected price of $95.) Linux AXP is a fully functional Unix, 
with compilers, X, networking, appletalk, apache WWW server, Mosaic,
DNS name services. For further details of the Craftwork Linux AXP see 
http://www.craftwork.com/
Linux uses GNU and other freely available developement tools, 
which are readily available from the net, eg gcc (includes
objective C), gnu fortran.

	The machine originally was supplied with Windows NT 
installed, but the state of the disks in the surplus machines
(NT, or unformatted) is unknown. Presumably there is/was support
at DEC for NT, but I don't know how to get it. It is my understanding
that the Windows NT CDROM has the OS for Alpha. Because the architecture
of the CPU is not Intel, Windows NT programs compiled for Intel
will not run on this machine. You'll need NT binaries compiled for this
chip or you'll need the sources and will have to compile them yourself. 
I can't offer any help on NT sorry.

	The Multia has a 1 year warrantee from DEC, however 
_NO_ manuals are available. I have a copy of the manual and will attempt
to make it available, probably for a copying fee. For a starter look 
on the webpage (address below). 

	I am putting out this announcement because we at Duke are
going to buy some of these machines and would like to get a good price.
I have dealt with Computer Outlet for about a year, and
have found them helpful, reliable and with good prices, so I send 
them my business when I can. In posting this offer I accept no 
responsibility for the usefullness or suitability of the machines
for any purpose whatever. The specs I have posted here to the best
of my knowledge are correct, but again I accept no responsibility
for them - please check with Computer Outlet, DEC and Crafwork to 
make sure. 

	You will be responsible for installing the operating system.
If anyone wishes, the Craftwork Linux AXP operating system will 
be installed for $50 before shipping to the level that the 
system boots, recognises all its hardware and is capable of 
connecting to the network via thinwire. You will need to 
configure the machine beyond this level using the Craftwork CD.
These machines will be shipped following shipment of the machines 
without the installed OS.

	If anyone is interested please e-mail me, giving
contact info (name, organisation, ph#, email, number of computers)
Progress on the group purchase (including names and number of computers
requested) will be posted on http://www.xray.duke.edu/multia/. 
On Sep 15 (or there abouts), I will post a notice on this
web site as to whether the number of orders is slowing down or
not and the projected date for sending your money to the Computer 
Outlet. Qualified organisations can send a PO. Otherwise
a 50% deposit is required, with the remainder paid COD.

	I'm happy to talk about our experiences with these machines
by phone/email or talk about technical issues. As well, after the 
purchase I will give free phone help (as my time permits) to anyone 
trying to get the system up. All monies and issues regarding the
details of the purchase will be handled through Computer Outlet, 
(contact person Eric Westrom) who will be responsible for
delivering a working machine.


Please reply with

Name                           :
Organisation                   :
Address                        :
Ph#/timezone                   :
e-mail                         :
number of computers    @ $750ea:
number of OS installed @ $ 50ea:
number of manuals      @ $ 20ea:
memory upgrades (Mb)           :

Please note these prices my best estimate at the moment. A final binding
price will be posted on the multia web page at the time for sending
in the orders. If there's enough interest (200 units) the price 
will be about $600.

	Joseph Mack
	Sysadmin, Xray Group
	Duke University Medical Center
	Durham, NC, 27710
	(919)-613-8890 (UTC-5hrs)
	mack@xray.duke.edu


From owner-structural-nmr@net.bio.net Mon Aug 12 23:00:00 1996
Path: biosci!rutgers!uwm.edu!chi-news.cic.net!ddsw1!news.mcs.net!nntp04.primenet.com!news.shkoo.com!nntp.primenet.com!news.cais.net!mr.net!newshub.tc.umn.edu!fu-berlin.de!informatik.tu-muenchen.de!lrz-muenchen.de!news
From: "David S. Stephenson" <dss@org.chemie.uni-muenchen-de>
Newsgroups: bionet.structural-nmr
Subject: Re: Unsymmetrical amide NMR question
Date: Tue, 13 Aug 1996 18:11:30 +0200
Organization: UNiversity of Munich
Lines: 22
Distribution: world
Message-ID: <3210A932.41C6@org.chemie.uni-muenchen-de>
References: <DvFw66.5F4@murdoch.acc.Virginia.EDU>
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Mime-Version: 1.0
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To: "[31mThe Brewer [37m" <jj8a@faraday.clas.Virginia.EDU>
CC: dss

[31mThe Brewer [37m wrote:
> 
>         I am desparately in need of a literature reference
> which states that N-methyl amides (-CONHCH3) show restricted rotation on
> the NMR timescale (You see two sets of peaks).  I have
> references which describe disubstituted amides.
>         Help...
> --

check out H.Kessler, Angew.Chem.,Int.Ed.Engl. 9,219 (1970)

He quotes
L.A.LaPlanche and M.T.Rogers, J.Amer.Chem.Soc. 86, 337 (1964)
and
R.H.Barker and G.J.Bondreaux, Spectrochim. acta 23A, 727 (1967)

-- 
David S. Stephenson
Institute of Organic Chemistry                  FON +49-89-5902-229
University of Munich                            FAX +49-89-5902-483
Karlstrasse 23                 EMAIL dss@org.chemie.uni-muenchen.de
80333 Munich            URL http://www.chemie.uni-muenchen.de/cicum

From owner-structural-nmr@net.bio.net Tue Aug 13 23:00:00 1996
Path: biosci!NMR.UTMB.EDU!david
From: david@NMR.UTMB.EDU (David Gorenstein)
Newsgroups: bionet.structural-nmr
Subject: NMR Faculty and post-doctoral Positions
Date: 14 Aug 1996 09:52:37 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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Dear colleague:

I would greatly appreciate it if you could bring to the attention of
colleagues in your organization various NMR junior faculty and
post-doctoral positions in the Sealy Center for Structural Biology at the
University of Texas Medical Branch at Galveston.

The recently established Sealy Center for Structural Biology and the
Department of Human Biological Chemistry currently have 10 faculty in
biomolecular NMR spectroscopy, x-ray crystallography, molecular modeling
and macromolecular assembly. We are still expanding the Center in these
areas. The NMR and Computer Centers of the Sealy Center for Structural
Biology are located in their own building on the UTMB campus. The Center
includes Varian Unity Plus 750, 600 and a wide-bore 400 MHz NMR
spectrometers. A Cray J91 supercomputer, SGI Power Challenge and 13 SGI and
Sun workstations are available.

We anticipate hiring another junior faculty member in biomolecular NMR
spectroscopy.  The individual should have a Ph.D. and post-doctoral
experience in modern biomolecular NMR.

In addition, I personally have grant funds for hiring several new
post-doctoral fellows in the area of protein and nucleic acid NMR
structure.  Triple resonance, multidimensional NMR is currently being
carried out on various DNA and RNA binding proteins and their
oligonucleotide complexes. This includes several transcription factors,
HIV-1 proteins and human beta-polymerase.  Part of our program is oriented
towards the rational design, synthesis and structural characterization of
oligonucleotide analogues and other agents directed towards HIV-1 and
oncogenes (this includes antisense, aptamer and ribozyme oligonucleotides).


I would appreciate any nominations or applications of candidates for these
positions. Interested candidates for the post-doctoral positions should
send their curriculum vitae and names, phone numbers and addresses of at
least four references to me. Additional details on the faculty position
will shortly be announced.

I will be attending the Keystone Biological NMR meeting August 18-23, 1966,
and if there are any candidates for the post-doctoral or faculty positions
who would be interested in talking with me about these positions, I would
be pleased to arrange some time for our discussion. Please leave a message
for me at the meeting.

Thanks very much for your help in these matters.


-----------------------------------------------------------
David Gorenstein
Director, Sealy Center for Structural Biology
Professor, Dept. of Human Biological Chemistry and Genetics
Professor, Dept. of Physiology and Biophysics
University of Texas Medical Branch
Galveston, TX 77555-1157

Office: (409) 747 6801
Main Office: (409) 747 6800
Voice Mail: (409) 747 6801
Fax: (409) 747 6850

E-MAIL ADDRESS: david@nmr.utmb.edu
http://www.nmr.utmb.edu/




From owner-structural-nmr@net.bio.net Tue Aug 13 23:00:00 1996
Path: biosci!EDV1.BOKU.AC.AT!wilson
From: wilson@EDV1.BOKU.AC.AT (Iain Wilson)
Newsgroups: bionet.structural-nmr
Subject: EGC-2 STARTS 9th SEPTEMBER - Register Now!
Date: 14 Aug 1996 11:03:07 -0700
Organization: Universit=?iso-8859-1?Q?=E4t f=FC?=r Bodenkultur Wien
Lines: 28
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The Second Electronic Glycoscience Conference starts in just under
four weeks - it takes place on the Internet from Monday 9th
September until Friday 20th September. The timetable for realtime
electronic discussions is already taking shape and over 100
abstracts have been received - papers are currently being sent in. 

Abstracts have been submitted on a wide range of topics related to 
carbohydrates and glycobiology including molecular modelling and NMR. 
There will also be a special session on molecular modelling techniques 
and force fields.

In order to view the posters and partake in the discussion sessions, 
please register as soon as possible - preferably by 1st September 
(otherwise no guarantee of your registration being processed in 
time!). 

Point your WWW-browser now to http://bellatrix.pcl.ox.ac.uk/egc2/ and 
proceed to the registration page. Once you've selected your username 
and password, you'll receive an automatic acknowledgement giving 
details on how to pay. Cheque, bank transfer and credit card payments 
are available. Once your payment has been processed, then you'll 
receive another acknowledgement informing you of the activation of 
your password.

Attending EGC-2 is not expensive: normal registration being US$50, with a 
reduced fee of US$30 for students.

If you have any queries, please e-mail egc2org@bellatrix.pcl.ox.ac.uk

From owner-structural-nmr@net.bio.net Tue Aug 13 23:00:00 1996
Path: biosci!biol.uni.torun.pl!treder
From: treder@biol.uni.torun.pl (Krzysztof Treder)
Newsgroups: bionet.structural-nmr
Subject: Spectrophotometer
Date: 14 Aug 1996 00:26:33 -0700
Organization: Inst. Biol. & Environment Protection
Lines: 7
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              Hello .
 I am looking for manufacture/dealler making or offers 
spectrofpotometers. Can you advise me in this qestion ?
Thenk you for some help!
 Krzysztof



From owner-structural-nmr@net.bio.net Wed Aug 14 23:00:00 1996
Path: biosci!rutgers!uwm.edu!cs.utexas.edu!howland.erols.net!newsfeed.internetmci.com!in2.uu.net!EU.net!news.eunet.fi!newsmaster
From: piero pollesello <pollese@poly01.tbs.trieste.it>
Newsgroups: bionet.structural-nmr
Subject: DCOOD anydrous: IS IT A DREAM?
Date: 15 Aug 1996 11:10:43 GMT
Organization: POLYbios, Area Science Park, Trieste, Italy
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Dear collegues!
To make a long story short, I can solve a 20 a.a. very lipophylic
peptide only in 1:1 CHCl3:formic acid.
If the formic acid is not of hyghest purity (means if it contains 5%
water e.g.) the mixture of solvents will split in two phases and the
peptide will precipitate.
I will run NMR spectra and I have CDCl3 and DCCOD (with 5% D2O !!!).
How to take away the water from the DCOOD?). Molecular sieves give out
cations: not good! Anhydrous CaSO4 cannot take out water from DCOOD:D2O,
but maybe from the mixture CDCL3:DCCOD:D2O. I suspect that also part of
the DCOOD will enter CaSO4.
Some ideas?
Thanks for comments
Piero


Piero Pollesello




From owner-structural-nmr@net.bio.net Wed Aug 14 23:00:00 1996
Path: biosci!AL.NMR.VARIAN.COM!georgeg
From: georgeg@AL.NMR.VARIAN.COM (georgeg)
Newsgroups: bionet.structural-nmr
Subject: Varian User Meeting at ICMRBS
Date: 15 Aug 1996 08:47:56 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 21
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In conjunction with the ICMRBS meeting next week, Varian is hosting
a User Meeting at the Keystone Lodge (3rd Floor) from 9am to 5pm.

Presentations from Varian scientists and users will be given, covering
new techniques and applications, as well as giving an update on current
technology and products. Oxford Instruments will present current progress
at 800 and 900 MHz.

The program agenda is available on the Web at www.nmr.varian.com. Just
select the "events" section. 

If you plan to attend and have not registered you may do so over the Web
either today or Friday. This will permit us to know how many lunches
to provide. Even if you do not have time to register please drop by
on Sunday anyway.

George A. Gray
NMR Applications Laboratory
Palo Alto, CA
(george.gray@nmr.varian.com)


From owner-structural-nmr@net.bio.net Wed Aug 14 23:00:00 1996
Path: biosci!AL.NMR.VARIAN.COM!georgeg
From: georgeg@AL.NMR.VARIAN.COM (georgeg)
Newsgroups: bionet.structural-nmr
Subject: subscribe
Date: 15 Aug 1996 08:48:46 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 3
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subscribe

(george.gray@nmr.varian.com)

From owner-structural-nmr@net.bio.net Wed Aug 14 23:00:00 1996
Path: biosci!fmp.fta-berlin.de!schultz
From: schultz@fmp.fta-berlin.de (Johan Schultz)
Newsgroups: bionet.structural-nmr
Subject: (none)
Date: 15 Aug 1996 04:14:11 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 64
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POSITIONS AVAILABLE AT THE EMBL, HEIDELBERG
-------------------------------------------

The European Molecular Biology Laboratory (EMBL) is an international
research organization with its Headquarters Laboratory in Heidelberg
(Germany), Outstations situated in Grenoble (France), Hamburg (Germany)
and Hinxton (UK) and a Research Programme at Monterotondo (Italy).  The
EMBL Headquarters Laboratory in Heidelberg has two vacancies in the NMR
facility: 

(1)  GROUP LEADER ref. no.: 96/37 NMR SPECTROSCOPY

The European Molecular Biology Laboratory in Heidelberg, Germany, has a
wide research programme in the areas of structural biology, developmental
biology, cell biology, cell regulation, gene expression and
instrumentation. The Structural Biology (incl. Biocomputing) Programme
maintains a multidisciplinary approach to study structural basis of
biological problems. Its research groups are currently using X-ray
crystallography, NMR spectroscopy, high-resolution electron microscopy and
biocomputing methods, supported by broad expertise in biochemistry and
molecular biology, to study membrane, cytoskeletal and signalling
proteins, protein/nucleic acid interactions, and protein folding. 

The NMR facility is equipped with a 500 MHz and a 600 MHz spectrometer
used by several groups. The new group leader is expected to use this
facility to study the solution structures and function of important
biological macromolecules. 

Candidates should have a PhD and substantial post-doctoral training, with
significant research accomplishments, and should demonstrate the ability
to establish and run an independent research group within the Programme. 

The contract will be for five years in the first instance. 

 (2) STAFF SCIENTIST ref. no.:  96/38 NMR SPECTROSCOPY

The Staff Scientist will serve as a facilities manager for the two
high-field spectrometers which are used by several research groups. He/She
will be responsible for maintenance and upgrades as well as development
and inplementation of pulse programs in close collaboration with the NMR
group leader. The position also gives an opportunity for development of an
independent research project and collaboration with other research groups. 

The candidates should have a PhD, post-doctoral training and research
accomplishments, and demonstrated expertise in NMR spectroscopy. 

The contract will be for three years in the first instance. 

Closing date for each position: 31 October 1996

EMBL is an inclusive, equal opportunity organization.  To apply please
send your CV, quoting appropriate ref. no., to: Head of Human Resources,
EMBL, Postfach 10.2209, D-69012 Heidelberg, Germany.  Fax:  +49 6221
387555

Ann Cooper Senior Personnel Officer European Molecular Biology Laboratory
Meyerhofstr. 1, Postfach 10.2209 69012 Heidelberg, Germany

Tel: +49 6221 387 208 Fax: +49 6221 387 555 email: 
cooper@EMBL-Heidelberg.de
        jobs@EMBL-Heidelberg.de
        



From owner-structural-nmr@net.bio.net Thu Aug 15 23:00:00 1996
Path: biosci!SMI.STANFORD.EDU!holbrook
From: holbrook@SMI.STANFORD.EDU (Robin Holbrook)
Newsgroups: bionet.structural-nmr
Subject: Symposium:  50 Years of NMR at Stanford
Date: 16 Aug 1996 13:28:45 -0700
Organization: SMRL, Stanford University
Lines: 40
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Announcing
WHAT:  "50 Years of NMR" - a one day Symposium celebrating the 
discovery of Nuclear Magnetic Resonance at Stanford University 
WHEN: Friday, October 4, 1996 (~8:30 am-5:15 pm with evening    
                       Banquet & Historic Roundtable ~6:30-9:00 pm)
WHERE:  Fairchild Auditorium, Stanford University Medical Center
Co Sponsored by Stanford University and Varian Associates

MORE INFO:  http://cmgm.stanford.edu/SMRL/50.html

EXHIBIT AND DAYTIME SCIENTIFIC SESSIONS WILL BE FREE AND OPEN TO 
THE PUBLIC - NO REGISTRATION REQUIRED

Preliminary Program

All Day:  Historical Exhibit

Morning and Afternoon Scientific Session:  Milestones and Current 
Trends in NMR

Speakers:  Richard Ernst (ETH-Zentrum, Zurich), Ray Freeman (Phys. 
Chem., Cambridge, England), Gary Glover (Lucas MR Center, 
Stanford), Erwin Hahn (Physics, UC Berkeley), James Hyde (Med. 
College, Wisc.), Oleg Jardetzky (SMRL, Stanford), Albert Macovski 
(MRSRL, Stanford), Harden McConnell (Chemistry, Stanford), Martin 
Packard (Varian, retired), Jonathan Stebbins (Geol. Sci., 
Stanford), Henry Taube (Chemistry, Stanford)

-------

Banquet & Historical Session: Felix Bloch Memorial (~6:30-9:00 pm) 
- REQUIRES PREPAID RESERVATION ($40/person)
contact Robin Holbrook (Tel: 415/723-6270, Fax: 415/723-2253, 
Email: holbrook@camis.stanford.edu or web page - address above)

Reminiscences of Early NMR
Invited Speakers:  Wes Anderson (Varian), J. T. Arnold (Varian), Bob 
Codrington (Varian), Arthur Schawlow (Stanford), Barry Shapiro (TAMU, 
NMR Newsletter), James Shoolery (Varian), Harry Weaver 
(Varian, H-P) and others

From owner-structural-nmr@net.bio.net Thu Aug 15 23:00:00 1996
Path: biosci!OXBOW.BIOPHYSICS.ROCHESTER.EDU!pascal
From: pascal@OXBOW.BIOPHYSICS.ROCHESTER.EDU (Steve Pascal)
Newsgroups: bionet.structural-nmr
Subject: Postdoc
Date: 16 Aug 1996 14:32:05 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 31
Sender: daemon@net.bio.net
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Message-ID: <9608162112.AA02357@oxbow.biophysics.rochester.edu>
NNTP-Posting-Host: net.bio.net


Protein NMR Postdoctoral Position

   A fully funded postdoctoral position will be available in my
laboratory beginning this fall. 

   Available projects include the use of NMR spectroscopy to examine the structure and dynamics of protein and substrate molecules involved in
transcriptional regulation and cytotoxicity. 

   The Department of Biophysics at the University of Rochester has 
recently hired two NMR spectroscopists (Shohei Koide and myself),
an X-ray crystallographer (Ravi Basavappa) and installed a fully
equipped Varian Unity+ 600 MHz spectrometer as part of a
structural biology initiative.

   Applicants should have experience in multi-nuclear NMR spectroscopy
as well as protein expression and purification. Those with strengths
in one of these areas and motivation to acquire the rest are also
encouraged to apply.

For further information, please contact me by email:

pascal@oxbow.biophysics.rochester.edu

#########################################################################Steve Pascal
Assistant Professor
Department of Biochemistry and Biophysics
University of Rochester Medical Center
601 Elmwood Ave                                 Phone: (716)273-4832
Rochester, NY 14642                             Fax:   (716)275-6007
#########################################################################

From owner-structural-nmr@net.bio.net Fri Aug 16 23:00:00 1996
Path: biosci!aecom.yu.edu!girvin
From: girvin@aecom.yu.edu (Mark Girvin)
Newsgroups: bionet.structural-nmr
Subject: POSTDOCTORAL POSITION IN MEMBRANE PROTEIN STRUCTURE BY NMR
Date: 17 Aug 1996 11:30:25 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 88
Sender: daemon@net.bio.net
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          POSTDOCTORAL POSITION IN MEMBRANE PROTEIN STRUCTURE BY NMR

  PROJECTS:
Membrane proteins are responsible for transmembrane signaling, energy
transduction, and ion and metabolite transport. Despite their importance,
and the need for structure to understand their function, few structures are
available. Membrane proteins have resisted routine crystallographic
analysis, and have been thought difficult candidates for NMR. The overall
goals of research in this laboratory are to continue to develop and apply
new solution conditions and new NMR methods to tease structural details out
of these secretive proteins.

Present work focuses on subunit c of the F1FO ATP synthase, both as a model
system and as an interesting protein in its own right. In the ATP synthase,
H+ translocation across the membrane through FO provides the driving force
for ATP synthesis on F1. Subunit c is responsible for both H+ translocation
through FO (via ionization of the buried Asp61 residue), and transmission of
long range (~100 =C5) conformational changes to the ATP binding sites on F1.

We have shown that subunit c retains native folding in organic/aqueous
solvent mixtures, permitting structural study by NMR.  Introduction of a
nitroxide at a unique site allowed us to measure distances over a 10-20 =C5
range, and, from 2D difference NMR, to rapidly determine the detailed
structure of the region of the protein within 16 =C5 of the probe.

We are presently determining the complete structure of subunit c via
1H13C15N 3D and 4D NMR. Structures will be determined above and below the
pKa of the essential Asp61, to understand the nature of the conformational
change linked to energy transduction.  We are developing a convenient system
to assay native folding of membrane proteins in mixed solvents and detergent
micelles, allowing us to optimize for proper folding and for favorable NMR
properties before undertaking lengthy structural studies.

We will analyze the structural features which stabilize the folding of
membrane proteins.  Membrane proteins stand some of the normal folding rules
on their heads - e.g. they don=92t bury hydrophobic surface the way that=
 water
soluble proteins do.  We expect that clusters of aromatic residues,
intricate van der Waals packing, and connecting loops will contribute to
folding stability.  Each of these elements will be varied by mutagenesis,
and folding stability will be assayed by NMR distance and dynamics
measurements. All these methods will be extended to other important membrane
proteins in the future.

  SELECTED REFERENCES:
M.E. Girvin & R.H. Fillingame (1995) Determination of Local Protein
Structure by Spin Label Difference 2D NMR, Biochemistry 34, 1635.

M.E. Girvin (1994) Increased Sensitivity of COSY Spectra by Use of Constant
Time t1 Periods (CT-COSY), J. Magnetic Resonance Ser. A. 108, 99.

M.E. Girvin & R.H. Fillingame (1994) Hairpin Folding of Subunit c of F1Fo
ATP Synthase: 1H Distance Measurements to a Nitroxide-Derivatized Asp61
Biochemistry 33, 665.

  INSTRUMENTATION:
The new Structural NMR Resource at Albert Einstein College of Medicine
(AECOM) occupies a space constructed to house the new Bruker DRX-600
4-channel and DRX-300 2-channel systems, along with substantial
computational resources (hardware & software).  The new Resource complements
the existing 500, 400, and 200 MHz instruments which are used for
physiological NMR.=20

  ENVIRONMENT & LOCATION:
AECOM provides an interactive, collaborative, friendly, and stimulating
environment. The Biochemistry Department is particularly strong in
mechanistic and structural biochemistry. The Albert Einstein College of
Medicine campus is located in a "pleasant residential neighborhood" of the
North Bronx. Many faculty and staff live in the surrounding neighborhoods.
Others live in Manhattan, or in Westchester County, which is an easy 10-30
minute commute from AECOM, depending on the location. Check us out at:=20
         http://leper1.ca.aecom.yu.edu/sggd/pages/overview/bulltext.htm

  APPLICATION:
The preferred starting date is September to November 1996. Please send
Curriculum Vitae and three letters of reference to: Mark Girvin,
Biochemistry Department, Albert Einstein College of Medicine, Jack and Pearl
Resnick Campus, 1300 Morris Park Ave., Bronx, NY 10461.

                  AECOM is an Equal Opportunity Employer.
______________________________________________________________
Mark Girvin                   =20
Biochemistry Department =20
Albert Einstein College of Medicine    girvin@aecom.yu.edu
1300 Morris Park Ave.                  Tel:(718) 430-2025/2021
Bronx, NY  10461                       FAX:(718) 430-8565
______________________________________________________________


From owner-structural-nmr@net.bio.net Sun Aug 18 23:00:00 1996
Path: biosci!RIGEL.BIOCHEM.UALBERTA.CA!kkr
From: kkr@RIGEL.BIOCHEM.UALBERTA.CA (Krishna Rajarathnam)
Newsgroups: bionet.structural-nmr
Subject: subscribe
Date: 19 Aug 1996 12:15:15 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 10
Sender: daemon@net.bio.net
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Message-ID: <9608191914.AA21955@rigel.biochem.ualberta.ca>
NNTP-Posting-Host: net.bio.net

________________________________________________________________________
Krishna Rajarathnam
PENCE
713 Heritage Building
University of Alberta
Edmonton, Alberta
Canada T6G 2S2

Phone:(403) 492 7540
FAX:(403) 492 1473

From owner-structural-nmr@net.bio.net Sun Aug 18 23:00:00 1996
Path: biosci!biosci!not-for-mail
From: Mogens Kjaer <carlmk@unidhp.uni-c.dk>
Newsgroups: bionet.structural-nmr
Subject: Senior NMR Scientist at Carlsberg Laboratory
Date: 19 Aug 1996 10:51:07 -0700
Organization: Carlsberg Laboratory
Lines: 53
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Carlsberg Laboratory
Senior NMR Scientist


At the Carlsberg Laboratory a National Instrument Centre for NMR
Spectroscopy of Biological 
Macromolecules will be opened in 1997 with 800 and 500 MHz Varian UNITY
INOVA equipment. 
The Chemistry Department of the Carlsberg Laboratory has Bruker 600 AMX
and 250 DRX 
instruments also available for research activities. Two research groups
are active in the
structural determination of biological macromolecules by NMR
spectroscopy at the Carlsberg
Laboratory, i) the Protein Structure and NMR group and ii) the
Carbohydrate NMR group. 
In order to strengthen the research at the National Centre a 5 years
position for a senior
research scientist is open. The senior scientist position will be filled
with a NMR
spectroscopist, who can complement the present structure research at the
Carlsberg
Laboratory by developing NMR methods for NMR spectroscopy of biological
molecules.
The successful candidate will have the opportunity to develop an
independent research
project, but will be committed to collaborate with the existing research
groups at the
Carlsberg Laboratory and with external users of the instrument centre.
For the same period
a junior scientific position at the Instrument Centre will be available
at the Laboratory.
The candidate for the senior research position should have a Ph.D. and
substantial
post-doctoral training and research accomplishments and should have
demonstrated expertise
in NMR spectroscopy.
A 5 years contract will be offered to the successful candidate by a
grant from the Carlsberg 
Foundation and with a salary level as a research professor.
An appointment committee will be established by the Carlsberg Foundation
and applications
and CV should be sent before October 1, 1996 to: 

Professor Klaus Bock
Department of Chemistry, Carlsberg Laboratory
Gamle Carlsberg Vej 10
DK-2500 Valby, Copenhagen, Denmark

Telephone: +45 3327 5220
Fax:       +45 3327 4708
e-mail:    carlkb@unidhp.uni-c.dk


From owner-structural-nmr@net.bio.net Wed Aug 21 23:00:00 1996
Path: biosci!news.alaska.edu!newsfeed.acns.nwu.edu!math.ohio-state.edu!cs.utexas.edu!howland.erols.net!newsfeed.internetmci.com!castle.nando.net!news
From: forte@nando.net   (Milton Forte II)
Newsgroups: bionet.xtallography,bionet.structural-nmr,misc.forsale.computers.workstation,misc.forsale.computers.other.systems,comp.os.linux.hardware,triangle.forsale
Subject: Re: Announce: Group Purchase of DEC Alpha Lite Linux Boxes $750
Date: 21 Aug 1996 17:25:46 GMT
Organization: Forte Associates
Lines: 14
Message-ID: <4vfgqq$c3d@castle.nando.net>
References: <4untjf$nf4@news.duke.edu>
Reply-To: forte@nando.net (Milton Forte II)
NNTP-Posting-Host: grail803.nando.net
X-Newsreader: IBM NewsReader/2 v1.2
Xref: biosci bionet.xtallography:2807 bionet.structural-nmr:1453 misc.forsale.computers.workstation:34442 misc.forsale.computers.other.systems:13923 comp.os.linux.hardware:52148

In <4untjf$nf4@news.duke.edu>, jmack@acpub.duke.edu (Joseph Mack) writes:
x>Subject: Group purchase of DEC Multia Unix Box for $750
x>
x>	We at Duke are currently using 8 of these running
x>pvm3 to do parallel processing. They are a general purpose
x>unix box (complete specs/info available from DEC at 
x>http://www.digital.com:80/.i/info/udb/). At a price of $750
x>you can use these as a cheap home computer, as a gateway,
x>www server or print server.
x>
This machine is available at auction with software on CDROM for LINUX or NT on
http://www.onsale.com/.

Milton

From owner-structural-nmr@net.bio.net Wed Aug 21 23:00:00 1996
Path: biosci!daresbury!bioftp.unibas.ch!infobiogen.fr!pasteur.fr!univ-lyon1.fr!howland.erols.net!newsfeed.internetmci.com!hunter.premier.net!news.cais.net!news.hkt.net!news.asiaonline.net!usenet
From: armins@asiaonline.net (Armin Schon)
Newsgroups: bionet.structural-nmr
Subject: nmr for low-cost food analysis?
Date: Fri, 16 Aug 1996 01:20:16 GMT
Organization: Asia On-Line Limited, Hong Kong.
Lines: 13
Message-ID: <4uv82u$r23@news.asiaonline.net>
Reply-To: armins@asiaonline.net
NNTP-Posting-Host: 202.85.14.120
X-Newsreader: Forte Free Agent 1.0.82

I am a physicist but have no experience in nmr whatsoever, so please
forgive me if this question seems unreasonable:

I suppose that a cw nmr system could be used to do a chemical analysis
of food samples, to look for traces of heavy metals (as long as they
give a signal, that is) etc.
Are there commercial systems available to do that? THeoretically that
should be a fairly simple system, so cost should be low? Any good
literature about that around?
Thanks.

Dr. Armin Schon, Hong Kong


From owner-structural-nmr@net.bio.net Wed Aug 21 23:00:00 1996
Path: biosci!internet!biosci!not-for-mail
From: biohelp (BIOSCI Administrator)
Newsgroups: bionet.structural-nmr
Subject: BIOSCI/bionet miniFAQ & Fundraiser
Date: 22 Aug 1996 02:00:06 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 239
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <199608220900.CAA29572@net.bio.net>
NNTP-Posting-Host: net.bio.net

(LAST REVISION: 30-JUL-95)

This BIOSCI "miniFAQ" is designed to answer the questions that come up
the *most frequently*.  The main BIOSCI FAQ (Frequently Asked
Questions) is accessible on the World Wide Web at URL
http://www.bio.net/.

If you can not find an answer to your question in this or other
documentation, the BIOSCI technical support staff answers e-mail
queries sent to

		       biosci-help@net.bio.net

We can only answer questions about the use of the newsgroups and
mailing lists.  We unfortunately do not have the staff to do Internet
information searches or answer scientific questions.  Please post
those to the appropriate BIOSCI/bionet newsgroups.


	Contents:
	--------
	0) BIOSCI NEEDS YOUR SUPPORT!!

	1) Using the WWW to access the BIOSCI/bionet newsgroups.

	2) What to do about "spams," i.e., junk mail, ads, etc.

	3) Examples of subscribing and unsubscribing to the mailing lists.

	4) The BIOSCI user address and research interest directory.


0) BIOSCI NEEDS YOUR SUPPORT!!
------------------------------
BIOSCI's government funding has been expended, and we are now
operating solely from advertising revenue that we have raised from our
Web site at http://www.bio.net/.  We need just a few minutes of your
time to help us serve you.

You can do two important things which will take very little time for
you individually and will immensely help us continue to help you.

First, please use our WWW system at http://www.bio.net/ to access the
archives.  You can post or reply to messages via your Web browser as
described in item #1 below.  Your usage helps attract sponsors. If you
contact any of our sponsors, please be sure to thank them for
supporting BIOSCI. It is critical for them to get this feedback if
they are to continue their sponsorship for the long term.

Second, if you work for a company or organization that provides
products or services of interest to the biology community, please pass
this message on to your marketing or marketing communications
department or other appropriate group.  Please ask them to help
support BIOSCI by sponsoring our Web site and explain the uses and
benefits of the system to the biology community. If they are
interested, they can then contact us for further information at our
tech support address, biosci-help@net.bio.net.


1) Using the WWW to access the BIOSCI/bionet newsgroups.
--------------------------------------------------------
As of 10 December 1995, all BIOSCI/bionet full newsgroups are
accessible through the World Wide Web (WWW) at URL http://www.bio.net.
One can read and reply publicly or privately to both recent postings
and archived messages through one's Web browser if it is configured
properly to send e-mail.  Each newsgroup is equipped with its own WAIS
index.  The main BIOSCI home page also has access to the BIO-JOURNALS
Table of Contents database WAIS index and the BIOSCI user address
database described in another item further below.


2) What to do about "spams," i.e., junk mail, ads, etc.
-------------------------------------------------------
BIOSCI is a set of parallel USENET newsgroups (the "bionet" groups),
mailing lists, and a hypermail archive at URL http://www.bio.net/.
The same postings are distributed on all media (except for a small
number of mailing-list-only groups at net.bio.net).  Unfortunately it
is becoming a despicable practice on the Internet (by a few people out
to make a fast buck) to do automated mass postings to thousands of
newsgroups and mailing lists.  These attempts to grab free advertising
are refered to as "spams" in the usual, somewhat boneheaded, net
terminology.  USENET is more susceptible to this practice, and many
spams originate on the USENET groups and then are passed on to the
mailing lists.  However, spammers also get lists of mailing addresses
and hit these too, so neither medium is immune.

What should you do personally if you get junk mail?
---------------------------------------------------
Just delete it and move on without reading it further.  Filing a
protest is becoming increasingly useless because spammers are often
disguising the addresses where the messages are sent from.  Unless you
really understand Internet mail systems, your attempt at protest by
sending replies to the message will often end up being sent to the
address of an innocent person that the spammer is victimizing.

What can BIOSCI/bionet do to protect its newsgroups?
----------------------------------------------------
The only solution currently available is to moderate the newsgroup.
If this newsgroup is already moderated, then you are in good shape.
Moderation protects the USENET distribution from about 95% of the
spams that are being sent to date and protects the mailing lists
completely.  Moderation means, however, that someone has to take the
time to review each message before it goes out.  We have set up
software here that simply allows the moderator to forward to an
address at net.bio.net messages that (s)he wishes to have distributed.
This takes no more time than that needed to read the message and pass
it on, say about 1 min. per message.

Most newsgroups currently have a discussion leader who is responsible
for their newsgroup.  The discussions leaders and their e-mail
addresses are listed in the BIOSCI Information Sheet which is
available on the Web at http://www.bio.net/.  If a newsgroup is being
hit with too many junk postings, please contact the discussion leader
for that group and see if there is interest in moderating the group.
Please do not assume that by simply posting a complaint to the
newsgroup itself, anyone on the BIOSCI staff will act on your
complaint.  With close to 100 newsgroups to run, the BIOSCI staff has
to rely on the discussion leaders of each newsgroup to report problems
directly to us at biosci-help@net.bio.net.

We will moderate any of our newsgroups if the discussion leader tells
us that the readership of the group wishes to do so and if a moderator
is willing to do the work.  For most BIOSCI/bionet groups, this
entails only a few minutes of work each day.

Moderating a newsgroup will resolve probably 95% of the junk postings
on the USENET distribution.  Unfortunately there are easy ways for
determined spammers to override the moderation mechanism on USENET,
but we can protect our e-mail subscribers from unwanted postings if
the newsgroup is moderated.  You can also access our newsgroups over
the WWW at URL http://www.bio.net.  While this Web interface will not
stop spammers from trying to post to the groups, this will give you
yet another way, besides using USENET news, to keep the junk out of
your personal mail files.  For those of you with local USENET news
systems, the Web interface will also give you faster access to new
newsgroups and recent postings.


3) Examples of subscribing and unsubscribing to the mailing lists.
------------------------------------------------------------------
PLEASE NOTE: The BIOSCI management does NOT act on
subscription/unsubscription requests that are posted improperly to the
newsgroups and mailing lists.  People who do this only bother everyone
on the lists to no avail.  Please be sure to follow the proper
procedures below.

Gory details are in the BIOSCI Information sheets on the Web at
http://www.bio.net.  Below we give an example utilizing the
METHODS-AND-REAGENTS list at both of our two BIOSCI sites:

Users in the Americas and Pacific Rim countries who use the BIOSCI
------------------------------------------------------------------
node at computer net.bio.net:
----------------------------

A) Determine the "listname" which is the <=8 character mail address
                                         ^^^^^^^^^^^^^
   for the group.  These can be found in the BIOSCI Info. Sheet.  For
   the METHODS-AND-REAGENTS group the mailing address is
   methods@net.bio.net.  The listname is the portion of the address to
   the left of the @ sign, i.e., "methods".  The listname is used with
   the "subscribe" and "unsubscribe" commands illustrated below.

B) Mail all commands in the body of a mail message addressed to
   biosci-server@net.bio.net.  Do NOT send commands to the newsgroup
   posting addresses!  Leave the Subject: line blank, any text on it
   will be ignored.

C) In the body of your message put one or more of the following
   commands with an "end" command on the last line, e.g.,

   subscribe methods
   unsubscribe methods
   end

   Do NOT put your e-mail address or other text on these lines.  The
   server only allows you to cancel your subscription if the address
   on your mail header matches the address on our mailing list.
   Please ask for help at biosci-help@net.bio.net if your address has
   changed, e.g., if you know you are on the list but the server tells
   you that you are not a member.


Users in Europe, Africa, and Central Asia who use the BIOSCI node at
--------------------------------------------------------------------
computer daresbury.ac.uk (also known as dl.ac.uk):
-------------------------------------------------

To subscribe and unsubscribe to/from the BIOSCI lists, you need to
specify the full USENET newsgroup name with "bionet-news." prepended.
The USENET newsgroup names are listed in the BIOSCI Information sheet
on the Web at http://www.bio.net/.  For the METHODS-AND-REAGENTS list
the USENET newsgroup name is bionet.molbio.methds-reagnts, thus the
appropriate commands are

    sub bionet-news.bionet.molbio.methds-reagnts

    unsub bionet-news.bionet.molbio.methds-reagnts

These commands are included in a message addressed to mxt@dl.ac.uk,
NOT to the newsgroup mailing addresses.  As usual, include the text in
the body of the message as text on the Subject: line is ignored.

To unsubscribe from all the lists at the UK node, use

    unsub bionet-news

Please note that if the address in the list is different than the one
in your mail message header, you will not be able to unsubscribe by
this method. If you have problems, please mail biosci@daresbury.ac.uk.


4) The BIOSCI user address and research interest directory.
-----------------------------------------------------------
Please take this opportunity to add your name, address, and research
interest information to the BIOSCI User Address Database if you have
not already done so.

You can fill out the address form directly through our Web page at URL
http://www.bio.net/adrform.html.

The address database is reindexed nightly for WWW access (the URL is
http://www.bio.net/).  If you are not directly on the Internet but can
reach it by e-mail, please use our waismail server to access the user
directory.  waismail use is described above.  You can also request a
user address form by e-mail from biosci-help@net.bio.net.

Please check your database entry from time-to-time to see if your
address information is still up-to-date.  Because of our limited
personnel resources, we ask that you resubmit a *complete* form to
revise your entry; we only replace complete entries and do not have
resources to edit old forms.

				Sincerely,

				Dave Kristofferson
				BIOSCI/bionet Manager

				biosci-help@net.bio.net

From owner-structural-nmr@net.bio.net Fri Aug 23 23:00:00 1996
Newsgroups: bionet.structural-nmr
Path: biosci!faseb.org!cpk-news-feed1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!newsfeed.internetmci.com!in3.uu.net!sangam!iitb!powai!n1403305
From: n1403305@powai.cc.iitb.ernet.in (ramakrishna)
Subject: error analysis
Message-ID: <DwMo5p.28H@powai.cc.iitb.ernet.in>
Date: Sat, 24 Aug 1996 05:49:00 GMT
Organization: Computer Centre, Indian Institute of Technology, Bombay
X-Newsreader: TIN [version 1.2 PL2]
Lines: 7

dear netters,  
I am looking for monte carlo simulation program for estimating error 
in experimental data. could some one provide me information 
about availability  of such a program.

thanks in advance
 

From owner-structural-nmr@net.bio.net Fri Aug 23 23:00:00 1996
Path: biosci!BIOC01.UTHSCSA.EDU!raman
From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN)
Newsgroups: bionet.structural-nmr
Subject: Re: error analysis
Date: 24 Aug 1996 09:28:53 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 37
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <9608241626.AA17913@bioc01.uthscsa.edu>
References: <DwMo5p.28H@powai.cc.iitb.ernet.in> <"ramakrishna"@Aug>
NNTP-Posting-Host: net.bio.net

Ramakrishna:

> I am looking for monte carlo simulation program for estimating error 
> in experimental data. could some one provide me information 
> about availability  of such a program.

Art Palmer's group at Columbia U., distributes a suite of programs that
might meet your needs.  In particular, you might be interested in
MODELFREE and CURVEFIT which have the capability to do MC simutations
for estimating the precision limits of the derived parameters.
More information can be found in:
http://cuhhca.hhmi.columbia.edu/palmer/palmer_group.html

Alternatively, you can reach Art at agp6@columbia.edu.
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) 614-0839                           _/
   _/                Fax:     (210) 567-6595                           _/
   _/             E-mail:  raman@bioc01.uthscsa.edu                    _/
   _/                                                                  _/
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/  
   _/                                                                  _/
   _/   "The real problem in speech is not precise language.           _/ 
   _/    The problem is clear language."   --Richard Feynman           _/
   _/                                                                  _/          
   _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/


From owner-structural-nmr@net.bio.net Sat Aug 24 23:00:00 1996
Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer
From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer)
Newsgroups: bionet.structural-nmr
Subject: Re: nmr for low-cost food analysis?
Date: 25 Aug 1996 07:12:03 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 36
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.SUN.3.91.960825100736.15519B-100000@phoenix.princeton.edu>
References: <4uv82u$r23@news.asiaonline.net>
NNTP-Posting-Host: net.bio.net


Bruker has a small instrument, "Minispec", which is used for food 
analysis -- although I doubt that it could do analysis of heavy metals.  
Oxford may have a small system for industrial use as far as I recall.  
Hope others will have some more advice.
Good luck,

Istvan

wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww
Istvan Pelczer, Ph.D.		       		Email: ipelczer@princeton.edu
Senior NMR Spectroscopist
Princeton University
Department of Chemistry			 		 ph#  (609) 258 2342
Frick Laboratory					fax#  (609) 258 6746
Washington Road
Princeton,  NJ 08544


On Fri, 16 Aug 1996, Armin Schon wrote:

> I am a physicist but have no experience in nmr whatsoever, so please
> forgive me if this question seems unreasonable:
> 
> I suppose that a cw nmr system could be used to do a chemical analysis
> of food samples, to look for traces of heavy metals (as long as they
> give a signal, that is) etc.
> Are there commercial systems available to do that? THeoretically that
> should be a fairly simple system, so cost should be low? Any good
> literature about that around?
> Thanks.
> 
> Dr. Armin Schon, Hong Kong
> 
> 
> 

From owner-structural-nmr@net.bio.net Mon Aug 26 23:00:00 1996
Path: biosci!aecom.yu.edu!girvin
From: girvin@aecom.yu.edu (Mark Girvin)
Newsgroups: bionet.structural-nmr
Subject: nmrPipe data -> XEASY
Date: 27 Aug 1996 05:54:41 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 16
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <199608271241.IAA04186@medusa.bioc.aecom.yu.edu>
NNTP-Posting-Host: net.bio.net

Hello all,

Does anyone have a suggestion for getting data processed by nmrPipe into
XEASY format?

Thanks in advance,

Mark
______________________________________________________________
Mark Girvin                    
Biochemistry Department  
Albert Einstein College of Medicine    girvin@aecom.yu.edu
1300 Morris Park Ave.                  Tel:(718) 430-2025/2021
Bronx, NY  10461                       FAX:(718) 430-8565
______________________________________________________________


From owner-structural-nmr@net.bio.net Mon Aug 26 23:00:00 1996
Path: biosci!mmd.com!vladimirsaudek
From: vladimirsaudek@mmd.com (Vladimir Saudek)
Newsgroups: bionet.structural-nmr
Subject: NMR job
Date: 27 Aug 1996 01:38:54 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 33
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <199608270838.AA08850@gate.mmd.com>
NNTP-Posting-Host: net.bio.net

Applications are invited for a permanent position of NMR spectroscopist
at Marion Merrell Research Institute, Strasbourg, France. The successful
candidate will be in charge of running, maintaining and upgrading Bruker
500 and 600 DMX spectrometers. His/her duties will include development
and implementation of pulse sequences necessary for pharmaceutical and
biomolecular research, assistance to other members of the group with NMR
experiments and carrying independent research projects. NMR laboratory
is an integral part of Biophysical Group (x-ray crystallography, NMR,
optical spectroscopy and molecular modeling).

Requirements: PhD, postdoctoral experience in MNR, excellent knowledge
of NMR theory and proven practice with multidimensional spectroscopy.
Previous experience with biomolecular NMR would be an asset but is not
necessary.

Interested candidates, please send  your CV and a letter of interest to
the address bellow.



-- 
 *---------------------------------------------------------------------*
 |  Vladimir Saudek            email:  VladimirSaudek@mmd.com          |
 |  biophysics                 phone:  (+33) 88 41 47 46 (lab)         |
 |                                     (+33) 88 41 46 93 (office)      |
 |                                     (+33) 88 41 45 00 (swichboard)  |
 |                             fax:    (+33) 88 45 90 70               |
 |  Marion Merrell                     16 rue d'Ankara                 |
 |  Research Institute                 67080 Strasbourg CEDEX          |
 |  Group Hoechst                      France                          |
 *---------------------------------------------------------------------*      
~


From owner-structural-nmr@net.bio.net Thu Aug 29 23:00:00 1996
Path: biosci!agate!howland.erols.net!nntp04.primenet.com!nntp.primenet.com!news.mathworks.com!newsfeed.internetmci.com!news.ycc.yale.edu!news
From: Elias Fernandez <elias@pharm.med.yale.edu>
Newsgroups: bionet.molbio.proteins,bionet.xtallography,bionet.neuroscience,sci.med.immunology,bionet.structural-nmr
Subject: Pro-dicon protein concentrator
Date: Fri, 30 Aug 1996 10:24:38 -0400
Organization: Yale University
Lines: 16
Message-ID: <3226F9A6.794B@pharm.med.yale.edu>
NNTP-Posting-Host: pharm.med.yale.edu
Mime-Version: 1.0
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit
X-Mailer: Mozilla 2.0 (X11; I; IRIX 5.3 IP20)
Xref: biosci bionet.molbio.proteins:8619 bionet.xtallography:2841 bionet.neuroscience:15518 sci.med.immunology:7312 bionet.structural-nmr:1475

Hi,

Are the Pro-dicon protein solution concentrators still available? Where? 

They used to be manufactured/marketed/both by a company called
Bio-molecular Dynamics in Oregon, but there doesn't seem to be a firm by
that name anymore. 


-- 
Elias J. Fernandez
Yale University 
Dept. of Pharmacology
New Haven, CT 06520.
Tel. No.: (203)-785-6232
Fax No. : (203)-785-7670.

From owner-structural-nmr@net.bio.net Thu Aug 29 23:00:00 1996
Path: biosci!agate!spool.mu.edu!usenet.eel.ufl.edu!news.ultranet.com!homer.alpha.net!uwm.edu!cs.utexas.edu!howland.erols.net!nntp.crl.com!news.zNET.net!news
From: laradex3@sj.znet.com (Larry Adams)
Newsgroups: bionet.structural-nmr
Subject: Structure of Magnetosomes?
Date: 30 Aug 1996 21:33:14 GMT
Organization: none
Lines: 12
Message-ID: <507mmq$lum@news>
NNTP-Posting-Host: capts-19.znet.com
Mime-Version: 1.0
X-Newsreader: WinVN 0.93.14

Are there any magnetic resonance experiments
that have determined the structure of the
magnetosomes in magnetotactic bacteria?

The magnetosomes contain the ferrite,
Magnetite.

Thanks,

Larry



