From owner-molec-model@net.bio.net Thu Dec 01 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!news.sprintlink.net!redstone.interpath.net!mercury.interpath.net!not-for-mail
From: morgan@mercury.interpath.net (Morgan Ryan)
Newsgroups: bionet.molec-model
Subject: modelling on Power Mac?
Date: 2 Dec 1994 08:54:59 -0500
Organization: Interpath -- Public Access UNIX for North Carolina
Lines: 16
Message-ID: <3bn8vj$g3u@mercury.interpath.net>
NNTP-Posting-Host: mercury.interpath.net


I just traded up my Mac to a 6100 PowerPC. Nice! But suddenly I have only
one working molecular graphics program, RasMol, which has a native PPC
version. MolView and MacMolecule are amazingly slow in emulation on the
PPC (The PPC has its own math coprocessor, but it doesn't coprocess when
emulating 68k...even speedy little MacMolecule takes minutes to come up). 
	Do I have any other options? Has anyone ported MolScript to PPC? 
Are there any other programs available that I don't know about? (I've 
read the faq's and gone to NIH etc. I'm wondering if there is something 
newer around that hasn't been inserted in the usual online guides.)
	Also, is there a freeware modeller in existence that works like
Ball-and-Stick? I'm just a hobbyist--can't afford lots of money for
molecular software. What do people put on the well-equipped freeware Mac
molecular graphics machine besides RasMol, MolView, MacMolecule and 
MacBabel? Anything? Thanks. Morgan Ryan / morgan@mercury.interpath.net


From owner-molec-model@net.bio.net Fri Dec 02 22:00:00 1994
Path: biosci!rutgers!csn!ub!library.erc.clarkson.edu!rpi!rebecca!tethys.ph.albany.edu!TIVOL
From: tivol@tethys.ph.albany.edu
Newsgroups: bionet.molec-model
Subject: Re: cis-trans Pro and better substrates
Date: 2 Dec 1994 23:14:39 GMT
Organization: SUNYA School of Public Health, Albany, NY
Lines: 21
Distribution: world
Message-ID: <3bo9ov$rko@rebecca.albany.edu>
References: <9411291932.AA16099@spartan.ac.BrockU.CA>
Reply-To: tivol@tethys.ph.albany.edu
NNTP-Posting-Host: tethys.ph.albany.edu

In article <9411291932.AA16099@spartan.ac.BrockU.CA>,
jatkin@SPARTAN.AC.BROCKU.CA writes:
>        How then can we speak of either the cis or the trans-Pro conformer
>as being a preferred substrate?  It is the peptide that is the substrate. 
>One may only suppose that one solution form reacts preferentially to
>another. 
> 
If the transition from cis to trans (& trans->cis) is slow compared to binding,
cleavage, etc., then it makes sense to treat the cis form and the trans form
as different substrates--you would certainly treat a peptide containing a d-
amino acid and an l-a.a. as different even though there is a finite rate for
rascimization (sp?).

>        Can anyone comment on the ease with which the equilibrium is
>established for small peptides?

Clearly the key point.  If equilibrium is established only slowly, then adding
only one conformer to the reaction mix gives a situation which is not at equi-
librium (as is the case with many biochemical reactions).
				Yours,
				Bill Tivol

From owner-molec-model@net.bio.net Fri Dec 02 22:00:00 1994
Path: biosci!daresbury!news!ajb
From: ajb@s-crim1.dl.ac.uk (Alan Bleasby)
Newsgroups: bionet.molec-model
Subject: [ANNOUNCE] Principles of Protein Structure
Date: 03 Dec 1994 23:12:46 GMT
Organization: SERC Daresbury Lab, Warrington, U.K.
Lines: 64
Distribution: world
Message-ID: <AJB.94Dec3231246@s-crim1.dl.ac.uk>
NNTP-Posting-Host: s-crim1.dl.ac.uk

        A Virtual Course 
                        PRINCIPLES OF PROTEIN STRUCTURE

                      INVITATIONS for STUDENT REGISTRATION

        This is an interactive multimedia Internet course covering the
basic principles of protein structure and related function.  It is sponsored
by:
        Birkbeck College, University of London
and
        The Virtual School of Natural Sciences (Globewide Network Academy).

Since the initial announcement 6 weeks ago, about 30 consultants worldwide
have volunteered to help in various ways, and have already contributed
extremely impressive material.  There are many completely novel methods
of learning in this course and it has already received much interest.

        WE ARE NOW INVITING APPLICATIONS FOR STUDENTS ON THE COURSE.

There are no fees or formal qualifications required but there ARE a number
of other requirements and all students MUST READ THE INSTRUCTIONS CAREFULLY
before applying.  Registration will ONLY BE ACCEPTED (OR EVEN ACKNOWLEDGED)
VIA THE FORMS PROTOCOL UNDER HTML/CGI.  (Most browsers such as Netscape,
Mosaic and lynx (text-only) support this).

        ALL MATERIAL RELATING TO THE COURSE IS UNDER THE URL:

        http://www.cryst.bbk.ac.uk/PPS/index.html

Please read this before mailing us with additional questions.  There are
also HTML/CGI forms for adding your comments, and this is a more efficient
method than e-mail.

        All correspondence should go to the addresses given under the course
URL and no longer to me.  In this way we can record and manage your mail more
efficiently.

        I am sorry that there has been a slight delay in registration, (due
to technical server problems), but we don't expect it to delay the start 
of the course.  We expect a heavy application, but it is NOT 
first-come-first-served, so please make sure you read the material carefully.

        Peter Murray-Rust
        December 3 1994

BTW The WWW pages at Daresbury (http://seqnet.dl.ac.uk:8000/vsns-pps) will
remain as a mirror of the Birkbeck pages, but BBK is now the primary site.
I believe that all the static documents link correctly, and we also believe
that the forms and scripts work - use the bugs form for any problems.
I am extremely grateful to several people for their technical help with
the servers (Alan Bleasby, Dave Houldershaw, Alan Mills, Marcus Speh, and 
Richard Westlake).  If there are technical problems with the DL material,
mail me.

        P.



Peter Murray-Rust (pmr1716@ggr.co.uk) Glaxo Research & Development, Greenford,
                   UK
mbglx@seqnet.dl.ac.uk, http://www.dl.ac.uk/CBMT/pmr.html (Thanks to Alan 
                   Bleasby)



From owner-molec-model@net.bio.net Tue Dec 06 22:00:00 1994
Newsgroups: bionet.molec-model,bionet.software
Path: biosci!bloom-beacon.mit.edu!gatech!swrinde!pipex!uunet!arris!diachun
From: diachun@arris.com (Justin Diachun)
Subject: Re: modelling on Power Mac?
Message-ID: <D0F5t9.3w1@arris.com>
Sender: usenet@arris.com
Nntp-Posting-Host: oyster.arris.com
Organization: Arris Pharmaceutical Corp.
References: <3bn8vj$g3u@mercury.interpath.net>
Date: Wed, 7 Dec 1994 02:34:21 GMT
Lines: 45
Xref: biosci bionet.molec-model:180 bionet.software:10275

In article <3bn8vj$g3u@mercury.interpath.net> morgan@mercury.interpath.net (Morgan Ryan) writes:
>
>I just traded up my Mac to a 6100 PowerPC. Nice! But suddenly I have only
>one working molecular graphics program, RasMol, which has a native PPC
>version. MolView and MacMolecule are amazingly slow in emulation on the
>PPC (The PPC has its own math coprocessor, but it doesn't coprocess when
>emulating 68k...even speedy little MacMolecule takes minutes to come up). 
>	Do I have any other options? Has anyone ported MolScript to PPC? 
>Are there any other programs available that I don't know about? (I've 
>read the faq's and gone to NIH etc. I'm wondering if there is something 
>newer around that hasn't been inserted in the usual online guides.)
>	Also, is there a freeware modeller in existence that works like
>Ball-and-Stick? I'm just a hobbyist--can't afford lots of money for
>molecular software. What do people put on the well-equipped freeware Mac
>molecular graphics machine besides RasMol, MolView, MacMolecule and 
>MacBabel? Anything? Thanks. Morgan Ryan / morgan@mercury.interpath.net

I have almost the exact same question, and a flyer on a new product.
Has anyone gotten anything from the Molecular Applications Group?
They list packages called Look (proteins), SegMod (homology), and
MacImdad.  The MacImdad product looks interesting.  It claims to have
a compressed PDB database that can be searched to pull up structures.
It is also available on PowerPC and other Mac systems.  They offer a
free demo disk that I have asked for.  The ad reads "Display - Analyze
- Print" so I guess it is in the RasMol field of applications.  I
would like to hear how this product compares to anything else on the
market.

I have the following contact information on the flyer:
   Molecular Applications Group
   445 Sherman Avenue, Suite T
   Palo Alto, Ca 94306
   toll free: 1-800-229-7382 (USA only)
   phone: 415-473-3030
   fax:  415-473-1795
   email: info@mag.com

disclaimer: I have no affiliation with MAG or knowledge of the product.
            I am simply looking for unbiased 3rd party opinions.

-- 
Justin Diachun
diachun@arris.com
System Administrator
Arris Pharmaceutical

From owner-molec-model@net.bio.net Tue Dec 06 22:00:00 1994
Newsgroups: bionet.molec-model,bionet.software
Path: biosci!ns1.faseb.org!darwin.sura.net!fconvx.ncifcrf.gov!reming
From: reming@ncifcrf.gov (Mary Remington)
Subject: Palindrome search software
Message-ID: <D0Fxyz.F4D@ncifcrf.gov>
Organization: Frederick Cancer Research and Development Center
References: <3bn8vj$g3u@mercury.interpath.net> <D0F5t9.3w1@arris.com>
Date: Wed, 7 Dec 1994 12:42:33 GMT
Lines: 4
Xref: biosci bionet.molec-model:182 bionet.software:10282


Does anyone know of a software program that will search DNA sequences for
palindromes?   Thanks, Mary


From owner-molec-model@net.bio.net Tue Dec 06 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!gatech!howland.reston.ans.net!nntp.crl.com!crl8.crl.com!not-for-mail
From: sunger@crl.com (Stefan Unger)
Newsgroups: bionet.molec-model,bionet.software
Subject: Re: modelling on Power Mac?
Followup-To: bionet.molec-model,bionet.software
Date: 6 Dec 1994 21:16:21 -0800
Organization: CRL Dialup Internet Access	(415) 705-6060  [Login: guest]
Lines: 61
Message-ID: <3c3gf5$4u1@crl8.crl.com>
References: <3bn8vj$g3u@mercury.interpath.net> <D0F5t9.3w1@arris.com>
NNTP-Posting-Host: crl8.crl.com
X-Newsreader: TIN [version 1.2 PL2]
Xref: biosci bionet.molec-model:181 bionet.software:10278

There is a new MAC visualization and analysis package called Protein 
Expert that is currently being ported to Power MAC.


e-mail me for more information.  I am the distributor.
Biosoftware Marketing
4151 Middlefield Rd, Ste 109
Palo Alto, CA 94303
415-858-0522
fax: 415-858-0521
sunger@crl.com

current version 680xx with math-coprocessor.  

Justin Diachun 
(diachun@arris.com) wrote:
: In article <3bn8vj$g3u@mercury.interpath.net> morgan@mercury.interpath.net (Morgan Ryan) writes:
: >
: >I just traded up my Mac to a 6100 PowerPC. Nice! But suddenly I have only
: >one working molecular graphics program, RasMol, which has a native PPC
: >version. MolView and MacMolecule are amazingly slow in emulation on the
: >PPC (The PPC has its own math coprocessor, but it doesn't coprocess when
: >emulating 68k...even speedy little MacMolecule takes minutes to come up). 
: >	Do I have any other options? Has anyone ported MolScript to PPC? 
: >Are there any other programs available that I don't know about? (I've 
: >read the faq's and gone to NIH etc. I'm wondering if there is something 
: >newer around that hasn't been inserted in the usual online guides.)
: >	Also, is there a freeware modeller in existence that works like
: >Ball-and-Stick? I'm just a hobbyist--can't afford lots of money for
: >molecular software. What do people put on the well-equipped freeware Mac
: >molecular graphics machine besides RasMol, MolView, MacMolecule and 
: >MacBabel? Anything? Thanks. Morgan Ryan / morgan@mercury.interpath.net

: I have almost the exact same question, and a flyer on a new product.
: Has anyone gotten anything from the Molecular Applications Group?
: They list packages called Look (proteins), SegMod (homology), and
: MacImdad.  The MacImdad product looks interesting.  It claims to have
: a compressed PDB database that can be searched to pull up structures.
: It is also available on PowerPC and other Mac systems.  They offer a
: free demo disk that I have asked for.  The ad reads "Display - Analyze
: - Print" so I guess it is in the RasMol field of applications.  I
: would like to hear how this product compares to anything else on the
: market.

: I have the following contact information on the flyer:
:    Molecular Applications Group
:    445 Sherman Avenue, Suite T
:    Palo Alto, Ca 94306
:    toll free: 1-800-229-7382 (USA only)
:    phone: 415-473-3030
:    fax:  415-473-1795
:    email: info@mag.com

: disclaimer: I have no affiliation with MAG or knowledge of the product.
:             I am simply looking for unbiased 3rd party opinions.

: -- 
: Justin Diachun
: diachun@arris.com
: System Administrator
: Arris Pharmaceutical

From owner-molec-model@net.bio.net Tue Dec 06 22:00:00 1994
Path: biosci!cc.UManitoba.CA!gordonr
From: gordonr@cc.UManitoba.CA (Richard Gordon)
Newsgroups: bionet.molec-model
Subject: theoretical biology
Date: 7 Dec 1994 05:57:44 -0800
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 56
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.SUN.3.91.941207075526.24554A-100000@toliman.cc.umanitoba.ca>
References: <3bvk3j$o3n@erinews.ericsson.se>
NNTP-Posting-Host: net.bio.net

International organization of theoretical biologists?
Dear Colleague:

We have been running a small Canadian Society for Theoretical Biology 
(CSTB) for the past decade which has been attracting 1/3 international 
memberships. We charge only Can$25/yr for membership. We are at a 
critical juncture, needing new people to take active participation. With 
the cost of international travel and the lure of specialty conferences, 
it is difficult for us to get together physically. Yet there is a need 
for developing an intellectual community of like-minded scientists. 
Theoretical biologists are in a difficult position right now, perhaps 
analogous to theoretical physicists before quantum mechanics. There is 
great potential; we know the experimentalists need us; but in general 
they don't know that, and we have no niche.

We think it is time to rethink whether the CSTB should continue to 
identify itself as a Canadian organisation, or whether we should become 
more explicitly international. It seems that our common bond is not 
Canadian residency, but rather a common international interest in 
theoretical biology and a desire to communicate. The services we have 
been able to offer to our members include a Newsletter, reduced rate 
subscriptions to the Journal of Biological Systems, and an Email network. 
We need to redefine our role, keeping in mind that there already exist 
several other organisations with overlapping interests, such as the SMB 
(Society for Mathematical Biology). The distinction between theoretical 
biology and mathematical biology is discussed in:

Gordon, R. (1993). Careers in theoretical biology. Carolina Tips  56(3), 
9-11.

which might be a good point for beginning our deliberations. If you would 
like a copy of this just send a request to Dick Gordon at 
GordonR@cc.UManitoba.ca

You are all encouraged to contribute to our discussion, whether or not 
you are a member of CSTB at the present time.  Please send your comments to
CSTB@biome.bio.ns.ca 
so that we can continue this discussion.  To join, send the message

subscribe cstb

to Majordomo@biome.bio.ns.ca

Dick Gordon, CSTB President
Department of Radiology, University of Manitoba
Room ON104, Health Sciences Centre, 820 Sherbrook Street
Winnipeg, MB R3A 1R9 Canada
Phone: (204) 787-1076,  Fax: (204) 783-8565,  E-mail: GordonR@cc.UManitoba.ca

Bill Silvert, CSTB Secretary/Treasurer
Habitat Ecology Division (HED), Bedford Inst. of Oceanography
P. O. Box 1006, Dartmouth, Nova Scotia, CANADA B2Y 4A2.  Tel. (902)426-1577
InterNet Address: silvert@biome.bio.ns.ca                Fax  (902)426-2256
HED runs a WWW server at URL=http://biome.bio.dfo.ca



From owner-molec-model@net.bio.net Wed Dec 07 22:00:00 1994
Path: biosci!rutgers!csn!yuma!purdue!mozo.cc.purdue.edu!darwin2.bio.purdue.edu!user
From: flip@bogie2.bio.purdue.edu (Phillip D. Russell)
Newsgroups: bionet.molec-model,bionet.software
Subject: Re: modelling on Power Mac?
Date: Wed, 07 Dec 1994 18:59:24 -0600
Organization: Purdue University
Lines: 39
Message-ID: <flip-0712941859240001@darwin2.bio.purdue.edu>
References: <3bn8vj$g3u@mercury.interpath.net> <D0F5t9.3w1@arris.com>
NNTP-Posting-Host: darwin2.bio.purdue.edu
Xref: biosci bionet.molec-model:184 bionet.software:10293

In article <D0F5t9.3w1@arris.com>, diachun@arris.com (Justin Diachun) wrote:

> In article <3bn8vj$g3u@mercury.interpath.net>
morgan@mercury.interpath.net (Morgan Ryan) writes:
> >
> >I just traded up my Mac to a 6100 PowerPC. Nice! But suddenly I have only
> >one working molecular graphics program, RasMol, which has a native PPC
> >version. MolView and MacMolecule are amazingly slow in emulation on the
> >PPC (The PPC has its own math coprocessor, but it doesn't coprocess when
> >emulating 68k...even speedy little MacMolecule takes minutes to come up). 
> >       Do I have any other options? Has anyone ported MolScript to PPC? 
> >Are there any other programs available that I don't know about? (I've 
> >read the faq's and gone to NIH etc. I'm wondering if there is something 
> >newer around that hasn't been inserted in the usual online guides.)

> I have almost the exact same question, and a flyer on a new product.
> Has anyone gotten anything from the Molecular Applications Group?
> They list packages called Look (proteins), SegMod (homology), and
> MacImdad.  The MacImdad product looks interesting.  It claims to have
> a compressed PDB database that can be searched to pull up structures.
> It is also available on PowerPC and other Mac systems.  They offer a
> free demo disk that I have asked for.  The ad reads "Display - Analyze
> - Print" so I guess it is in the RasMol field of applications.  I
> would like to hear how this product compares to anything else on the
> market.

We have a FREE program that runs native on the PowerMac and
blows the commercial programs away.

It's called MolView and you can get it from:
http://www.bio.purdue.edu/MolView/MolView.html

Flip

-- 
         __@    Phillip "Flip" Russell  | Purdue University      __@
  _ -_,_-\<,_flip@bogie2.bio.purdue.edu | West Lafayette, IN  _ -\<,_
 (_)-----/-(_)           The important things...             (_)-/-(_)
                        My bikes and my Macintosh

From owner-molec-model@net.bio.net Wed Dec 07 22:00:00 1994
Path: biosci!rutgers!gatech!howland.reston.ans.net!Germany.EU.net!news.dfn.de!scsing.switch.ch!elna.ethz.ch!smac.ethz.ch!user
From: tan@mol.biol.ethz.ch (Song Tan)
Newsgroups: bionet.molec-model,bionet.software
Subject: Re: Palindrome search software
Date: Wed, 07 Dec 1994 19:27:53 +0100
Organization: ETH-Honggerberg (Swiss Federal Institute of Technology)
Lines: 14
Message-ID: <tan-0712941927530001@smac.ethz.ch>
References: <3bn8vj$g3u@mercury.interpath.net> <D0F5t9.3w1@arris.com> <D0Fxyz.F4D@ncifcrf.gov>
NNTP-Posting-Host: smac.ethz.ch
Xref: biosci bionet.molec-model:185 bionet.software:10295

> Does anyone know of a software program that will search DNA sequences for
> palindromes?   Thanks, Mary

Programs that analyze sequences for possible RNA stemloop structures
should do the trick.  STEMLOOP in the GCG package is one example.

Hope this helps.

-- 
Song Tan
Institute for Molecular Biology and Biophysics
ETH-Honggerberg (Swiss Federal Institute of Technology)
8093 Zurich, Switzerland
email:  tan@mol.biol.ethz.ch

From owner-molec-model@net.bio.net Thu Dec 08 22:00:00 1994
Newsgroups: bionet.molec-model
Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!pipex!uunet!zib-berlin.de!uni-paderborn.de!urmel.informatik.rwth-aachen.de!newsserver.rrzn.uni-hannover.de!yorvic.york.ac.uk!priest
From: priest@yorvic.york.ac.uk (Stuart Priest)
Subject: Re: FDIV bug in Pentium chips!!!
Message-ID: <1994Dec8.120715.20654@newsserver.rrzn.uni-hannover.de>
Sender: news@newsserver.rrzn.uni-hannover.de (News Service)
Reply-To: priest@yorvic.york.ac.uk
Organization: Department of Chemistry, University of York
References: <3b2msv$10pj@quartz.ucs.ualberta.ca> <3bl9af$jlp@xap.xyplex.com> <3bo1qf$3j2@news.iastate.edu>
Date: Thu, 8 Dec 1994 12:07:15 GMT
Lines: 88

In article <3bo1qf$3j2@news.iastate.edu>, kurtg@iastate.edu (Kurt R Glaesemann) writes:
|> In article <3bl9af$jlp@xap.xyplex.com>,  <dlaskey@xyplex.com> wrote:
|> >By the way...If you do any serious number crunching and use 256 in your 
|> >calculations such as cell A1 (4195835 * 256)
|> >                     cell A2 (3145727 / 256)
|> >		     cell A3  =a1/a2
|> >You are boned.  The Pentium will give the result 87407.92362
|> >Acual answer is 				 87413.2569
|> >
|> >Hmmmmmm The error is to the LEFT of the decimal point.  These Chips Suck!
|> 
|> You really didn't need more than three significant figures  ;-)
|> 
|> >Have fun doing taxes...remember calculations done on a Pentium are still your 
|> >responsibility.  You will be liable for all interest and penalties!
|> 
|> I wonder if water comes out linear using quantum mechanics programs on
|> pentiums.  :-( 
|> 
|> 
|> -- 
|> kurtg@iastate.edu
(For those of you not up on the latest.... a bug was found in the
 Pentium's math coprocessor a week ago.  Intel acknowledged that it knew
 about it for a long time.)

Q&A:  THE PENTIUM FDIV BUG

Q:  How many Pentium designers does it take to screw in a light bulb?
A:  1.99904274017, but that's close enough for non-technical people.

Q:  What do you get when you cross a Pentium PC with a  research grant?
A:  A mad scientist.

Q:  What's another name for the "Intel Inside" sticker they put on
    Pentiums?
A:  The warning label.

Q:  What do you call a series of FDIV instructions on a Pentium?
A:  Successive approximations.

Q:  Complete the following word analogy:  Add is to Subtract as Multiply
    is to:
        1)  Divide
        2)  ROUND
        3)  RANDOM
        4)  On a Pentium, all of the above
A:  Number 4.

Q:  What algorithm did Intel use in the Pentium's floating point divider?
A:  "Life is like a box of chocolates." (Source: F. Gump of Intel)

Q:  Why didn't Intel call the Pentium the 586?
A:  Because they added 486 and 100 on the first Pentium and got
    585.999983605.

Q:  According to Intel, the Pentium conforms to the IEEE standards 754
    and 854 for floating point arithmetic.  If you fly in aircraft
    designed using a Pentium, what is the correct pronunciation of "IEEE"?
A:  Aaaaaaaiiiiiiiiieeeeeeeeeeeee!


TOP TEN NEW INTEL SLOGANS FOR THE PENTIUM
- --------------------------------------------------------------------------

  9.9999973251   It's a FLAW, Dammit, not a Bug
  8.9999163362   It's Close Enough, We Say So
  7.9999414610   Nearly 300 Correct Opcodes
  6.9999831538   You Don't Need to Know What's Inside
  5.9999835137   Redefining the PC -- and Mathematics As Well
  4.9999999021   We Fixed It, Really
  3.9998245917   Division Considered Harmful
  2.9991523619   Why Do You Think They Call It *Floating* Point?
  1.9999103517   We're Looking for a Few Good Flaws
  0.9999999998   The Errata Inside

-- 
                                 ####
                                (o  o)
 +------------------------oooO---(__)---Oooo-----------------------------+
 | Stuart Priest, Computer Manager       priest@yorvic.york.ac.uk        |
 | Protein Structure Group         http://www.yorvic.york.ac.uk/~priest/ |
 ! Department of Chemistry                                               |
 | University of York               Telephone : 44 1904 432592           |
 | Heslington, York YO1 5DD, U.K.         Fax : 44 1904 410519           |
 +-----------------------------------------------------------------------+
                               ||    ||
                              (__)  (__)

From owner-molec-model@net.bio.net Sat Dec 10 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!panix!not-for-mail
From: jnr@panix.com (Josh Rubin)
Newsgroups: bionet.molec-model
Subject: Structure of DNA
Date: 11 Dec 1994 16:41:59 -0500
Organization: PANIX Public Access Internet and Unix, NYC
Lines: 14
Message-ID: <3cfrn7$ik6@panix.com>
NNTP-Posting-Host: panix.com

I would appreciate it if anyone would email me the basic physical
dimensions of a DNA molecule, e.g., how many pairs of bases
make one complete 360-degree turn, how far from one base pair to
the next, and (if this makes sense) how far from the center 
of the spiral are the base pairs. 

TIA

Josh
 
Joshua N. Rubin (jnr@panix.com) 
31 East 31st Street, Apt. 2E        
New York, NY  10016                     
(212) 213-5569             

From owner-molec-model@net.bio.net Sat Dec 10 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!vixen.cso.uiuc.edu!uwm.edu!news.alpha.net!solaris.cc.vt.edu!swiss.ans.net!newstf01.news.aol.com!newsbf01.news.aol.com!not-for-mail
From: loppen@aol.com (LOPPEN)
Newsgroups: bionet.molec-model
Subject: Structure Files
Date: 11 Dec 1994 08:05:03 -0500
Organization: America Online, Inc. (1-800-827-6364)
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Sender: news@newsbf01.news.aol.com
Message-ID: <3cetdv$lks@newsbf01.news.aol.com>
NNTP-Posting-Host: newsbf01.news.aol.com

I'm interested in obtaining structure files of simple molecules for use in
RasMol. I understand they exist in the Cambridge Structural Database. Can
they be accessed by FTP? If so how?
               Thanks........Larry

From owner-molec-model@net.bio.net Sun Dec 11 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!vixen.cso.uiuc.edu!uxa.cso.uiuc.edu!dalke
From: dalke@uxa.cso.uiuc.edu (Andrew Dalke)
Newsgroups: bionet.molec-model
Subject: Re: Structure of DNA
Date: 12 Dec 1994 03:48:52 GMT
Organization: University of Illinois at Urbana
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Message-ID: <3cgh74$31g@vixen.cso.uiuc.edu>
References: <3cfrn7$ik6@panix.com>
NNTP-Posting-Host: uxa.cso.uiuc.edu


In article <3cfrn7$ik6@panix.com> jnr@panix.com (Josh Rubin) writes:
>I would appreciate it if anyone would email me the basic physical
>dimensions of a DNA molecule, e.g., how many pairs of bases
>make one complete 360-degree turn,
>[...]

  Not meaning disrespect or anything but ...

  Are you asking us to do your homework?

						Andrew
						dalke@uiuc.edu

From owner-molec-model@net.bio.net Sun Dec 11 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!cs.utexas.edu!swrinde!pipex!uunet!comp.vuw.ac.nz!canterbury.ac.nz!chmeds.ac.nz!gjacobs
From: gjacobs@chmeds.ac.nz
Newsgroups: bionet.molec-model
Subject: Machines for 3D modelling... which???
Message-ID: <1994Dec12.143156.772@chmeds.ac.nz>
Date: 12 Dec 94 14:31:56 +1200
References: <Pine.A32.3.91.941205150545.3795B-100000@chiminfo.unice.fr> <D0KCDA.EHB@shellgate.shell.com>
Lines: 19


Q:  Does anyone what machines are worth investigating (beyond SGIs, that is)
for molecular modelling? What are their (comparative) performances for
3D work? 

Note that some other companies do have the licence for the Silicon Graphics
(SGI) graphics language (GL) - but I don't know which! Any ideas??

In particular, is there anyway to have top-end 3D grpahics on a DEC Alpha?


Grant Jacobs
----------------------------------------------------------------
Dr. Grant Jacobs                                 Dept. Pathology
email:   GJacobs@chmeds.ac.nz        Christchurch Medical School,
   or:   G.Jacobs@chmeds.ac.nz        Chrischurch, P.O. Box 4345,
phone:   (03) 364 0579                               NEW ZEALAND.
   or:   (03) 364 0009               (formerly, MRC Laboratory of 
  FAX:   (03) 364 0525          Molecular Biology, Cambridge, UK)

From owner-molec-model@net.bio.net Sun Dec 11 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!uhog.mit.edu!europa.eng.gtefsd.com!howland.reston.ans.net!swrinde!pipex!uunet!zib-berlin.de!informatik.tu-muenchen.de!lrz-muenchen.de!ipp-garching.mpg.de!alf.biochem.mpg.de!krasel
From: krasel@alf.biochem.mpg.de (Cornelius Krasel)
Newsgroups: bionet.molec-model
Subject: Re: Structure Files
Date: 12 Dec 1994 21:24:27 GMT
Organization: Rechenzentrum der Max-Planck-Gesellschaft in Garching
Lines: 13
Message-ID: <3cif2b$2pbd@sat.ipp-garching.mpg.de>
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NNTP-Posting-Host: alf.biochem.mpg.de
X-Newsreader: TIN [version 1.2 PL2]

LOPPEN (loppen@aol.com) wrote:
> I'm interested in obtaining structure files of simple molecules for use in
> RasMol. I understand they exist in the Cambridge Structural Database. Can
> they be accessed by FTP? If so how?

AFAIK the CSD cannot be by FTP.

--Cornelius.

--
/* Cornelius Krasel, Abt. Lohse, Genzentrum, D-82152 Martinsried, Germany  */
/* email: krasel@alf.biochem.mpg.de                 fax: +49 89 8578 3795  */
/* "Science is the game you play with God to find out what His rules are." */

From owner-molec-model@net.bio.net Sun Dec 11 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!sol.ctr.columbia.edu!news.columbia.edu!konichiwa.cc.columbia.edu!hcb8
From: "Eluemuno R. Blyden" <hcb8@columbia.edu>
Newsgroups: bionet.molec-model
Subject: Re: theoretical biology
Date: Mon, 12 Dec 1994 00:19:28 -0500
Organization: Columbia University
Lines: 22
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In-Reply-To: <Pine.SUN.3.91.941207075526.24554A-100000@toliman.cc.umanitoba.ca> 


In reply to your posting I would like to say that You ARE needed on an 
international level.  I particularly identified with your comparison to 
the evolution of physics.  Please count me in as an enthusiastic 
supporter of your accession to global networkdom and add me to any 
mailing lists that you now have.

I am interested in the area of sequence structure relations and also have 
a small software company that has developed medical imaging software for 
PCs and is working on visualisation programs for gene sequence analysis.

Please send me information about how to join your society to:

dr. Eluemuno R. Blyden
Khepera Group, LLC
220 Manhattan Ave #5R
New York City, NY 10025

blyden@bio.vu.nl
hcb8@columbia.edu

erb

From owner-molec-model@net.bio.net Mon Dec 12 22:00:00 1994
Newsgroups: bionet.molec-model
Path: biosci!newshost.lanl.gov!news.ttu.edu!aurora.LaTech.edu!darwin.sura.net!nih-csl!rvenable
From: rvenable@deimos.cber.nih.gov (Rick Venable)
Subject: Re: Machines for 3D modelling... which???
Message-ID: <1994Dec13.030754.17280@alw.nih.gov>
Sender: postman@alw.nih.gov (AMDS Postmaster)
Organization: FDA/CBER Biophysics Lab
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References: <Pine.A32.3.91.941205150545.3795B-100000@chiminfo.unice.fr> <D0KCDA.EHB@shellgate.shell.com> <1994Dec12.143156.772@chmeds.ac.nz>
Date: Tue, 13 Dec 1994 03:07:54 GMT
Lines: 38

On 12 Dec 94 14:31:56 +1200 gjacobs@chmeds.ac.nz pontificated:
> Q:  Does anyone what machines are worth investigating (beyond SGIs, that is)
> for molecular modelling? What are their (comparative) performances for
> 3D work? 

HP 9000/7?5, DEC Alpha, IBM RS6000/5?? at least; both SGI and some IBMs have
*hardware* to do GL quickly, while HP and DEC machines have better raw number
crunching power.  For software using X windows, especially PEX, GL hardware
may not offer much advantage to SGI and IBM machines.  Your relative
performance may also be depend a good deal on the size ot the molecular
system, who wrote the software you are using, how well tuned and/or busy
the machine is, and not necessarily depend solely on who made the machine.

You may wish to consider the ease of obtaining service and/or replacement
parts and peripheral devices in your locale, as well as performance.  You
may wish to evaluate software first, then get the machine it runs best on.

> Note that some other companies do have the licence for the Silicon Graphics
> (SGI) graphics language (GL) - but I don't know which! Any ideas??

There is also a freely distributed software package for X11 which emulates
the GL calls on *any* X windows system, but possibly not with anything close
to the speed of hardware GL.  If the rate limiting factor is floating point
calculation speed, graphics rendering speed doesn't matter so much, though.

> In particular, is there anyway to have top-end 3D grpahics on a DEC Alpha?

Kubota makes an add-on graphics engine for DEC Alpha, especially for rendering
volumetric surfaces rapidly.  Contact Kubota or your DEC salesperson.

> Grant Jacobs
> ----------------------------------------------------------------

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
FDA/CBER Biophysics Lab       |____/     |=|
Bethesda, MD  U.S.A.          |   \  /   |=|  / Not an official statement \
rvenable@deimos.cber.nih.gov       \/    |=|  \  or position of the FDA.  /

From owner-molec-model@net.bio.net Mon Dec 12 22:00:00 1994
Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!europa.eng.gtefsd.com!newsxfer.itd.umich.edu!zip.eecs.umich.edu!panix!not-for-mail
From: jnr@panix.com (Josh Rubin)
Newsgroups: bionet.molec-model
Subject: Re: Structure of DNA
Date: 12 Dec 1994 19:09:53 -0500
Organization: PANIX Public Access Internet and Unix, NYC
Lines: 25
Message-ID: <3ciooh$kb9@panix.com>
References: <3cfrn7$ik6@panix.com> <3cgh74$31g@vixen.cso.uiuc.edu>
NNTP-Posting-Host: panix.com

Andrew Dalke writes:

>In article <3cfrn7$ik6@panix.com> jnr@panix.com (Josh Rubin) writes:

>>I would appreciate it if anyone would email me the basic physical
>>dimensions of a DNA molecule, e.g., how many pairs of bases
>>make one complete 360-degree turn,

>  Not meaning disrespect or anything but ...
>  Are you asking us to do your homework?

Well, no . . .

I want to model the molecule for fun using Alias Sketch!, a
computer graphics program that runs on a Mac.  It's not my
day job and it's not homework.  I've created a reasonable
facsimile using dimensions from illustrations, but I don't
know if these are accurate.

Josh

Joshua N. Rubin (jnr@panix.com) 
31 East 31st Street, Apt. 2E        
New York, NY  10016                     
(212) 213-5569             

From owner-molec-model@net.bio.net Mon Dec 12 22:00:00 1994
Path: biosci!bcm!cs.utexas.edu!swrinde!gatech!newsxfer.itd.umich.edu!nntp.cs.ubc.ca!unixg.ubc.ca!laue.biochem.ubc.ca!ywchen
From: ywchen@laue.biochem.ubc.ca (Y. W. Chen)
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Date: 13 Dec 1994 20:34:37 GMT
Organization: University of British Columbia, Vancouver, B.C., Canada
Lines: 10
Distribution: world
Message-ID: <3cl0gt$alv@nntp.ucs.ubc.ca>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu>
NNTP-Posting-Host: laue.biochem.ubc.ca
Xref: biosci bionet.software:10364 alt.binaries.pictures.d:10227 bionet.xtallography:1378 bionet.molec-model:198

Dear all,

There are a whole gallery of biologically-related superb graphic images (eg. from structural works) scattered in various labs.  Anyone vote for forming a new usenet news group collecting these pictures ?  I am interested but I haven't got storage disk space and the expertise to run the newsgroup.  Furthermore, I think a discussion group on how to generate these pictures will be helpful for communicating ideas as well.

Yu Wai CHEN
Department of Biochemistry & Molecular Biology
University of British Columbia
2146 Health Sciences Mall
Vancouver BC
CANADA

From owner-molec-model@net.bio.net Tue Dec 13 22:00:00 1994
Path: biosci!bcm!cs.utexas.edu!uunet!zib-berlin.de!informatik.tu-muenchen.de!lrz-muenchen.de!inherit.lmb.uni-muenchen.de!user
From: Steipe@vms.biochem.mpg.de (Boris Steipe)
Newsgroups: bionet.molec-model
Subject: Re: Structure of DNA
Followup-To: bionet.molec-model
Date: 14 Dec 1994 10:42:52 GMT
Organization: Genzentrum, biostructure lab
Lines: 22
Distribution: world
Message-ID: <Steipe-141294113810@inherit.lmb.uni-muenchen.de>
References: <3cfrn7$ik6@panix.com>
NNTP-Posting-Host: 141.84.48.171

In article <3cfrn7$ik6@panix.com>, jnr@panix.com (Josh Rubin) wrote:

> I would appreciate it if anyone would email me the basic physical
> dimensions of a DNA molecule, e.g., how many pairs of bases
> make one complete 360-degree turn, how far from one base pair to
> the next, and (if this makes sense) how far from the center 
> of the spiral are the base pairs. 

Stryer BIOCEMISTRY (every biochemists basic text) gives:
   10 base pairs per turn
   34 A per turn, i.e. 3.4 A per base (1 Angstrom = 10^^-10m)
   diameter is given as 20 A, distance from center depends on what you
mean:
      base ? phosphate ? closest some probe (e.g. a water molecule) can 
      approach ? hydrogen furthest away from center ? etc.
But: real DNA is somwhat bent and usually not exactly in the ideal B, A or
Z
     conformation.
If you need, I could mail you some real coordinates.

Greetings
Boris (steipe@vms.biochem.mpg.de)

From owner-molec-model@net.bio.net Wed Dec 14 22:00:00 1994
Path: biosci!agate!news.duke.edu!usenet
From: dpk@acpub.duke.edu (Dean Kanipe)
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Date: 15 Dec 1994 08:52:54 GMT
Organization: Duke University
Lines: 12
Message-ID: <3cp056$11d@news.duke.edu>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca> <3cntjh$2anp@sat.ipp-garching.mpg.de>
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Xref: biosci bionet.software:10397 alt.binaries.pictures.d:10248 bionet.xtallography:1382 bionet.molec-model:201

In article <3cntjh$2anp@sat.ipp-garching.mpg.de>, krasel@alf.biochem.mpg.de (Cornelius Krasel) says:

>I don't think a newsgroup would be appropriate. What about a centralized
>ftp/gopher/www server?
>
>--Cornelius.

I second this motion.  A WWW page linking the existing resources would be 
a much more efficient way of doing it.  I think that if you propose this to 
the Bio groups, you may find someone who can take it on as a project.  

dpk

From owner-molec-model@net.bio.net Wed Dec 14 22:00:00 1994
Path: biosci!galaxy.ucr.edu!library.ucla.edu!europa.eng.gtefsd.com!gatech!newsfeed.pitt.edu!uunet!zib-berlin.de!informatik.tu-muenchen.de!lrz-muenchen.de!ipp-garching.mpg.de!alf.biochem.mpg.de!krasel
From: krasel@alf.biochem.mpg.de (Cornelius Krasel)
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Followup-To: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Date: 14 Dec 1994 23:03:13 GMT
Organization: Rechenzentrum der Max-Planck-Gesellschaft in Garching
Lines: 16
Distribution: world
Message-ID: <3cntjh$2anp@sat.ipp-garching.mpg.de>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca>
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Y. W. Chen (ywchen@laue.biochem.ubc.ca) wrote:
> There are a whole gallery of biologically-related superb graphic images
> (eg. from structural works) scattered in various labs.  Anyone vote for 
> forming a new usenet news group collecting these pictures ?  I am
> interested but I haven't got storage disk space and the expertise to
> run the newsgroup.

I don't think a newsgroup would be appropriate. What about a centralized
ftp/gopher/www server?

--Cornelius.

--
/* Cornelius Krasel, Abt. Lohse, Genzentrum, D-82152 Martinsried, Germany  */
/* email: krasel@alf.biochem.mpg.de                 fax: +49 89 8578 3795  */
/* "Science is the game you play with God to find out what His rules are." */

From owner-molec-model@net.bio.net Wed Dec 14 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!gatech!newsxfer.itd.umich.edu!gumby!yale!yale!loglady.ninds.nih.gov!johnk
From: johnk@spasm.niddk.nih.gov (John Kuszewski)
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Date: 14 Dec 1994 15:59:28 GMT
Organization: National Insts. of Health
Lines: 43
Distribution: world
Message-ID: <3cn4p0$ebr@babyblue.cs.yale.edu>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca>
Reply-To: johnk@spasm.niddk.nih.gov (John Kuszewski)
NNTP-Posting-Host: spasm.niddk.nih.gov
Xref: biosci bionet.software:10398 alt.binaries.pictures.d:10251 bionet.xtallography:1383 bionet.molec-model:202

In article <3cl0gt$alv@nntp.ucs.ubc.ca>, ywchen@laue.biochem.ubc.ca (Y. W. Chen) writes:
|> Dear all,
|> 
|> There are a whole gallery of biologically-related superb graphic images (eg. from structural works) scattered in various labs.  Anyone vote for forming a new usenet news group collecting these pictures ?  I am interested but I haven't got storage disk spa|> ce and the expertise to run the newsgroup.  Furthermore, I think a discussion group on how to generate these pictures will be helpful for communicating ideas as well.
|> 
|> Yu Wai CHEN
|> Department of Biochemistry & Molecular Biology
|> University of British Columbia
|> 2146 Health Sciences Mall
|> Vancouver BC
|> CANADA

NO!

This is entirely inappropriate for a newsgroup.  These images are not 
constantly changing and, as you point out, are very large.  Why should
*thousands* of sites waste many many megabytes of disk space holding pictures
that only a few people are interested in?  If you're familiar with 
USENET, you'll realize that the local site administrators will delete the
pictures posted to these groups as soon as they appear.

Before proposing boneheaded things like this, PLEASE read 
news.announce.newusers like you're supposed to.  

An FTP or WWW site, where only one machine has to waste space on these
pictures, is a far more appropriate way of distributing them.  And
by the way, several sites of this sort already exist (take a look
at http:://www.nih.gov).

Sheesh.
-- 
                                   _____________
                                   |        ___/_
                                   |        |/  /
                                   --  /\  //  /--
                                   ||  ||  /  /||
                                   ||  || /  / ||
                                   ||  ||/  /  ||
John Kuszewski                     ||  |/  /|  ||      
johnk@spasm.niddk.nih.gov          ||  /  /||  ||
                                   \/ /  / ||  \/
that's MISTER protein G to you!     |/__/|      |
                                      /_________|

From owner-molec-model@net.bio.net Wed Dec 14 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!gatech!howland.reston.ans.net!news.cac.psu.edu!news.pop.psu.edu!hudson.lm.com!netline-fddi.jpl.nasa.gov!nntp-server.caltech.edu!seqvax.caltech.edu!mathog
From: mathog@seqvax.caltech.edu (David Mathog)
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Date: 15 Dec 1994 09:30 PST
Organization: Division of Biolgy, CALTECH
Lines: 24
Distribution: world
Message-ID: <15DEC199409303676@seqvax.caltech.edu>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca>
NNTP-Posting-Host: seqvax.bio.caltech.edu
News-Software: VAX/VMS VNEWS 1.41    
Xref: biosci bionet.software:10404 alt.binaries.pictures.d:10255 bionet.xtallography:1385 bionet.molec-model:203

In article <3cl0gt$alv@nntp.ucs.ubc.ca>, ywchen@laue.biochem.ubc.ca (Y. W. Chen) writes...
>There are a whole gallery of biologically-related superb graphic images
>etc.
> 

We don't really need to spray these all over the Internet, do we?  Seems 
like a major waste of bandwidth and disk space.

This isn't to say that biological images aren't valuable, just that a news
group dedicated to them should probably restrict itself to notices of image
availability, image content, and some technically related material.  If 
mixed in with that were a steady stream of images it would dilute the 
information content and probably get the newsgroup restricted to a very 
short disk life.

It *would* be nice if there were a definitive Biology Images Web page, 
especially one that had some way to search for images by content, something 
like "list all images of Drosophila wings."

Regards,

David Mathog
mathog@seqvax.bio.caltech.edu
Manager, sequence analysis facility, biology division, Caltech 

From owner-molec-model@net.bio.net Wed Dec 14 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!uhog.mit.edu!europa.eng.gtefsd.com!howland.reston.ans.net!news2.near.net!satisfied.elf.com!rpi!rebecca!tethys.ph.albany.edu!TIVOL
From: tivol@tethys.ph.albany.edu
Newsgroups: bionet.molec-model
Subject: Pentium haiku
Date: 15 Dec 1994 15:58:48 GMT
Organization: SUNYA School of Public Health, Albany, NY
Lines: 3
Message-ID: <3cpp3o$j69@rebecca.albany.edu>
Reply-To: tivol@tethys.ph.albany.edu
NNTP-Posting-Host: tethys.ph.albany.edu

Pi is equal to three
In Tennessee
And on a Pentium chip

From owner-molec-model@net.bio.net Thu Dec 15 22:00:00 1994
Newsgroups: bionet.molec-model
Path: biosci!agate!howland.reston.ans.net!vixen.cso.uiuc.edu!uwm.edu!news.doit.wisc.edu!decwrl!netcomsv!netcom.com!dougnb
From: dougnb@netcom.com (Doug Neubauer)
Subject: Molec. Dynamics Simulator
Message-ID: <dougnbD0wD7s.8o0@netcom.com>
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Fri, 16 Dec 1994 09:33:28 GMT
Lines: 22


Hello.

I have finished a molecular dynamics simulator for the SPC model
of water. 

The core routines are essentially taken from: Allen-Tildesley,
Computer Simulation of Liquids, and I added code for the coulomb
force calculations, and the SPC model.

It is, I think, more useful as a learning tool than a practical
simulator, (although it does generate answers which match published
data), for those like me, who are reading through Allen-Tildesley,
and would like something which follows on from the Allen-Tildesley
building blocks F.1-F.37, but not so complicated as a full-featured
simulator such as Amber.

If you are interested, send me email, and I will send you a copy.

Regards.

Doug Neubauer

From owner-molec-model@net.bio.net Thu Dec 15 22:00:00 1994
Newsgroups: bionet.molec-model
Path: biosci!agate!howland.reston.ans.net!news.starnet.net!wupost!uhog.mit.edu!bloom-beacon.mit.edu!world!chi
From: chi@world.std.com (Cambridge Healthtech Institute)
Subject: Small Molecule Mimetics Meeting
Message-ID: <D0woLD.KMK@world.std.com>
Organization: The World Public Access UNIX, Brookline, MA
X-Newsreader: TIN [version 1.2 PL2]
Date: Fri, 16 Dec 1994 13:39:13 GMT
Lines: 7

Cambridge Healthtech Institute is organizing programs on Small Molecule 
Mimetics (April 
10-11 1995) and Computer Aided Drug Development (April 12-13). Both will 
be held in San 
Francisco CA.  Please submit poster titles and abstracts to 
chi@world.std.com. Inquiries are also welcome.


From owner-molec-model@net.bio.net Thu Dec 15 22:00:00 1994
Path: biosci!daresbury!not-for-mail
From: dcarucci@hgmp.mrc.ac.uk (Dr. D.J. Carucci)
Newsgroups: bionet.molec-model
Subject: Predicted 3D structure
Date: 16 Dec 1994 16:28:12 -0000
Lines: 23
Sender: lpddist@mserv1.dl.ac.uk
Distribution: bionet
Message-ID: <3csf6s$7th@mserv1.dl.ac.uk>
Original-To: molmodel@dl.ac.uk


Hi:

I have cloned a new molecule that is structurally related to G-protein
receptors.  I would like to model the 3D structure of this new protein
based on the 3D structure of other G-protein receptor molecules -
to date bacteriorhodopsin.  What computer programs are available to help
me?  I understand there is a program which "threads" a new protein 
primary structure through the 3D structure of another - It was in Science
I believe.  

Thanks

Dan

_________________________________________________________________
Daniel J. Carucci, M.D.			E-mail: d.carucci@lshtm.ac.uk
Dept. of Medical Parasitology		Tel: 44-71-927-2341
London School of Hygiene and Tropical Medicine	FAX: 636-8739
Keppel Street
London WC1E 7HT
United Kingdom


From owner-molec-model@net.bio.net Thu Dec 15 22:00:00 1994
Path: biosci!agate!spool.mu.edu!uwm.edu!news.doit.wisc.edu!ted.bocklabs.wisc.edu!user
From: sspencer@rhino.bocklabs.wisc.edu (Stephan Spencer)
Newsgroups: bionet.software,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [I'll provide the Web page]
Date: 16 Dec 1994 15:28:51 GMT
Organization: Institute for Molecular Virology, Univ of Wisconsin
Lines: 33
Distribution: world
Message-ID: <sspencer-161294092413@ted.bocklabs.wisc.edu>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca> <15DEC199409303676@seqvax.caltech.edu>
NNTP-Posting-Host: ted.bocklabs.wisc.edu
Xref: biosci bionet.software:10421 bionet.xtallography:1387 bionet.molec-model:207

In article <15DEC199409303676@seqvax.caltech.edu>,
mathog@seqvax.caltech.edu (David Mathog) wrote:

> It *would* be nice if there were a definitive Biology Images Web page, 
> especially one that had some way to search for images by content, something 
> like "list all images of Drosophila wings."


I agree. I'm surprised one is not already available, but if not, I will
provide such a Web page on our (Institute for Molecular Virology) server
(http://www.bocklabs.wisc.edu). I need people to help, however, in the form
of emailing me links to sites that they know of.  I can't do the research
part, as I am writing my Master's thesis and looking for a job (in
Australia or New Zealand, by the way, so if you know of any
biocomputing/molecular visualization jobs "down under" please email me!).

Our server is an excellent example of what's available in the area of
biology images. We offer animations, interactive models, and
high-resolution color-coded images of virus structures solved either by
X-ray crystallography or by cryo-electron microscopy and image
reconstruction. Many of these images/animations are *exclusively* available
on our server. The URL (address of our server) is
"http://www.bocklabs.wisc.edu". You need access to the World Wide Web to
view these visualizations (more info on the World Wide Web is available in
the bionet.software.www group, if you are unfamiliar with this Internet
protocol).

Cheers

Stephan Spencer
Institute for Molecular Virology
University of Wisconsin-Madison
sspencer@rhino.bocklabs.wisc.edu

From owner-molec-model@net.bio.net Fri Dec 16 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!usc!howland.reston.ans.net!vixen.cso.uiuc.edu!uxa.cso.uiuc.edu!pantazis
From: dennis pantazis <pantazis@uxa.cso.uiuc.edu>
Newsgroups: bionet.molec-model
Subject: Pentium Bug posting of Thurs. Dec. 8 (?)
Date: Sat, 17 Dec 1994 01:24:19 -0600
Organization: University of Illinois at Urbana
Lines: 13
Message-ID: <Pine.DYN.3.91.941217012051.20265A-100000@uxa.cso.uiuc.edu>
NNTP-Posting-Host: uxa.cso.uiuc.edu
Mime-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII


I understand that someone posted an article about a short script about 
'testing' your Pentium chip.  I was unable to retrieve it.

Could someone who has a copy of it, or the author please foreward it to 
me?  

Thanks in advance.....

Dennis Pantazis

pantazis@uxa.cso.uiuc.edu 


From owner-molec-model@net.bio.net Fri Dec 16 22:00:00 1994
Newsgroups: bionet.software,bionet.xtallography,bionet.molec-model
Path: biosci!agate!ames!cnn.nas.nasa.gov!splatter.nas.nasa.gov!bross
From: bross@splatter.nas.nasa.gov (Bill Ross)
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [I'll provide the Web page]
Message-ID: <D0xqoz.5n9@cnn.nas.nasa.gov>
Sender: news@cnn.nas.nasa.gov (News Administrator)
Nntp-Posting-Host: splatter.nas.nasa.gov
Organization: NAS/NASA Ames Research Center
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca> <15DEC199409303676@seqvax.caltech.edu> <sspencer-161294092413@ted.bocklabs.wisc.edu>
Date: Sat, 17 Dec 1994 03:22:10 GMT
Lines: 11
Xref: biosci bionet.software:10429 bionet.xtallography:1392 bionet.molec-model:209

For one list-of-lists collected from the point of view of
molecular simulation, see

	http://www.amber.ucsf.edu/amber/0Net.html

E.g. from that list, here are identical pages with "interactive chemistry"

        http://www.ch.ic.ac.uk/chemical_mime.html
        http://chem.leeds.ac.uk/Project/MIME.html

Bill Ross

From owner-molec-model@net.bio.net Fri Dec 16 22:00:00 1994
Newsgroups: bionet.molec-model,bionet.software,bionet.xtallography
Path: biosci!agate!howland.reston.ans.net!swrinde!ihnp4.ucsd.edu!network.ucsd.edu!equalizer!timbuk.cray.com!walter.cray.com!mwd
From: mwd@cray.com (Mark Dalton)
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Message-ID: <1994Dec16.102646.11985@walter.cray.com>
Followup-To: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Lines: 56
Nntp-Posting-Host: pajarito.cray.com
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References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca>
Date: 16 Dec 94 10:26:46 CST
Xref: biosci bionet.molec-model:211 bionet.software:10431 bionet.xtallography:1393


> Y. W. Chen (ywchen@laue.biochem.ubc.ca) wrote:
> Dear all,
> There are a whole gallery of biologically-related superb graphic images
> (eg. from structural works) scattered in various labs.  Anyone vote for
> forming a new usenet news group collecting these pictures ?  I am
> interested but I haven't got storage disk space and the expertise to
> run the newsgroup.  Furthermore, I think a discussion group on how to
> generate these pictures will be helpful for communicating ideas as well.
> Yu Wai CHEN

Well I looked at the NIH site, has plenty of pointers to Crystal structures
but lacks most things besides proteins (cells,membranes,oraganelles,etc).
and I also agree that it sould not be done via listservers or usenet news.
However, I did manage to find other sites that seem to have a similar idea.

I would find these images very helpful also, since it his helpful to write
WWW/Virtual courses that have images and even animations (like cell division).

I have a list of all of the biology (and other) courses I have found:
	http://lenti.med.umn.edu/~mwd/courses.html

The place to look would be (the page and their stated goal:
	Science and Mathematics Education Resources 
	http://halcyon.com/cairns/science.html

The goal of this page is to serve as an atlas of all the downloadable
resources for good science and mathematics instruction and learning.
It will also be a place where teachers can find materials to make the
job of teaching easier and students can find materials to simplify learning.
There will be pointers for teachers/learners of all ages. Your comments
(good or bad) are most welcome! This page has grown so much that it has
been be broken up by subject area to minimize the download time for the
page. 

For Biology:
	Biological Sciences Educational Resources
	http://www.halcyon.com/cairns/bio.html

I would like to see more of a effort.  I am working on a Cell Biology course
and I will make my images available (for non-profit use).  I have been told
by others I could not use their images due to Copyright reasons and deals
they had with the publisher (so you may want to be a little careful).

Thanks!

Mark
-----
Mark Dalton       CH3-S-CH2   H                    H      O       H
Cray Research,Inc.      |     |                    |       \      |
Los Alamos,NM 87544     CH2-C-COOH   //\ ---C--CH2-C-COO    C-CH2-C-COO
mwd@cray.com                  |     |  ||   ||     |       //     |
                              NH2    \\/ \ / CH    NH3    O       NH3
                                          NH
URL = http://lenti.med.umn.edu/~mwd/mwd.html


From owner-molec-model@net.bio.net Thu Dec 22 22:00:00 1994
Path: biosci!agate!howland.reston.ans.net!EU.net!sun4nl!news.nic.surfnet.nl!highway.LeidenUniv.nl!rulglj!dirk
From: dirk@rulglj (Dirk Huckriede)
Newsgroups: bionet.molec-model
Subject: newtest
Date: 23 Dec 1994 09:06:16 GMT
Organization: CCC group, Organic Chemistry, Leiden University, The Netherlands
Lines: 19
Message-ID: <3de3u8$pn2@highway.LeidenUniv.nl>
NNTP-Posting-Host: rulglj.leidenuniv.nl
X-Newsreader: TIN [version 1.2 PL2]



--

------------------------------------------------------------------------------
 Dirk Huckriede                    
                                   
 Computational Chemistry Courseware
 Gorlaeus Laboratories             
 Leiden University                 
                                   
 P.O. Box    9502                Phone : +31 71 274505             
 2300 RA   Leiden                  Fax : +31 71 274488             
 The  Netherlands               E-mail : dirk@rulglj.leidenuniv.nl 
------------------------------------------------------------------------------
"to be or nut^H^H^H -- sh^Gt, how do I delete..^?^?^? Oh No Oh NO^D^D^D -- How
do I get out of this thing anyway^C^C^C Kill it^Z^Z^Z (mumble mumble)
Bus error (core dumped)
------------------------------------------------------------------------------

From owner-molec-model@net.bio.net Sat Dec 24 22:00:00 1994
Path: biosci!bloom-beacon.mit.edu!gatech!swrinde!pipex!uunet!news.uiowa.edu!panda
From: J. Monahan <jmonahn@blue.weeg.uiowa.edu>
Newsgroups: bionet.software,alt.binaries.pictures.d,bionet.xtallography,bionet.molec-model
Subject: Re: BIOLOGICAL IMAGES NEWSGROUP? [Re: BIOLOGY IMAGES]
Date: 24 Dec 1994 23:31:08 GMT
Organization: U of Iowa Panda System
Lines: 47
Distribution: world
Message-ID: <788312193-1-11819@blue.weeg.uiowa.edu>
References: <3cik8e$ac6@sparc.occ.uky.edu> <3cken9$1h9@decaxp.harvard.edu> <3cl0gt$alv@nntp.ucs.ubc.ca> <15DEC199409303676@seqvax.caltech.edu>
Reply-To: jmonahn@blue.weeg.uiowa.edu
NNTP-Posting-Host: blue.weeg.uiowa.edu
Xref: biosci bionet.software:10492 alt.binaries.pictures.d:10410 bionet.xtallography:1402 bionet.molec-model:213


It seems to me that this sort of project would be better undertaken by a.) 
gathering the images, 2.) Indexing them in a hypertext form, and 3.) 
distributing the product on CD-ROM.

3M in Minnesota duplicates CDs in quanities of 50+ for around $2.00 each.

I began a searchable graphical database of human parasites for a 
parasitologist here- (at the University of Iowa) A total 0f some 2500 images 
of the species, the effected organs, the habitats and conditions that promote 
infection etc.  All of this fits on a single CD.

Joe Monahan
jmonahn@blue.weeg.uiowa.edu


In note <15DEC199409303676@seqvax.caltech.edu>, mathog@seqvax.caltech.edu 
(David Mathog) writes: 
>In article <3cl0gt$alv@nntp.ucs.ubc.ca>, ywchen@laue.biochem.ubc.ca (Y. W. 
>>Chen) writes...There are a whole gallery of biologically-related superb 
>>graphic imagesetc.
>> 
>
>We don't really need to spray these all over the Internet, do we?  Seems 
>like a major waste of bandwidth and disk space.
>
>This isn't to say that biological images aren't valuable, just that a news
>group dedicated to them should probably restrict itself to notices of image
>availability, image content, and some technically related material.  If 
>mixed in with that were a steady stream of images it would dilute the 
>information content and probably get the newsgroup restricted to a very 
>short disk life.
>
>It *would* be nice if there were a definitive Biology Images Web page, 
>especially one that had some way to search for images by content, something 
>like "list all images of Drosophila wings."
>
>Regards,
>
>David Mathog
>mathog@seqvax.bio.caltech.edu
>Manager, sequence analysis facility, biology division, Caltech 

---
Joe Monahan
jmonahn@blue.weeg.uiowa.edu


From owner-molec-model@net.bio.net Thu Dec 29 22:00:00 1994
Newsgroups: bionet.molec-model
Path: biosci!agate!howland.reston.ans.net!pipex!uunet!newsflash.concordia.ca!CC.UMontreal.CA!charron
From: charron@CHIMCN.UMontreal.CA (Charron Guy)
Subject: jobs
Message-ID: <D1M9op.J2x@cc.umontreal.ca>
Sender:  charron@chimcn.umontreal.ca 
Organization: Universite de Montreal
Date: Fri, 30 Dec 1994 09:14:48 GMT
Lines: 7

Hello everyone,
		I have just completed my bachelor degree in physics and
now I want to do graduate studies in a computational physics subject.
I already have an article published on finding eigenvalues of very
large matrices. I would like to know what is your experience in
relation to job market? Any clue on this subject will be greatly 
appreciated.

