From owner-molec-model@net.bio.net Sun Aug 02 23:00:00 1998 Path: biosci!SLIP.NET!grizzly From: grizzly@SLIP.NET (Michael Sherrell) Newsgroups: bionet.molec-model Subject: Sequencers/synthesizers Date: 3 Aug 1998 16:06:54 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 55 Sender: daemon@net.bio.net Distribution: world Message-ID: <01BDBEF8.63486E60@oak-pm1-50-178.dialup.slip.net> NNTP-Posting-Host: net.bio.net I have a number of peptide and oligo synthesizers and sequencers for = sale: Licor 4200S-2 two-laser Sequencer, 4 mos. old Licor 4000L sequencer, ~$30K PerSeptive 9050, ~$6K PerSeptive Expedite 8909, <=3D $14K ABI 394, rebuilt, warranteed, Oligonet-ready, ~$12K ABI 394, rebuilt, warranteed, non-Oligonet, ~$11K ABI 391, rebuilt, warranteed, $7K ABI 430, rebuilt, warranteed, ~$12K ABI 431, ~$14K ABI 432 Synergy ABI 433, rebuilt by ABI, warranteed, < $40K ABI 373 classic, $10,500 ABI 373 stretch, 5-filter, 36-lane, $29K ABI 477, <=3D $10K ABI Catalyst 800 ABI 120, 130, $2.5K [We rebuild valve blocks for ABI 430, 431 and 39x @ $65/port, 90-day = warranty] also: LC-MS: Finnigan TSQ 7000, ~$200K Fisons VG 2000, <$100K Finnigan MAT 900, <$50K Finnigan MAT 90, ~$45K =09 MALDI-TOF: HP, masses to 500 KDa, lightly used, <=3D$60K Finnigan Laser MAT 2000, <$40K Other expensive hi-tech items: Bio-Dot sub-microliter 8-channel aspirate/dispense system (typically = 96-well microplate source, glass slide, microwell plate or membrane = target), < 1 year old Molecular Devices 445SI-MAC Phosphorimager, ~ 3 years old, currently = operating and under maintenance contact I also have available a few other synthesizers and sequencers and a = wide selection of HPLCs, mass specs, robots and other lab instruments. Please contact me to discuss any of these items, or if you have any = items you might like to sell. Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com From owner-molec-model@net.bio.net Tue Aug 04 23:00:00 1998 Path: biosci!agate!newsfeed.berkeley.edu!howland.erols.net!newshub.northeast.verio.net!btnet-peer!btnet!server2.netnews.ja.net!news.reading.ac.uk!not-for-mail From: Lee Cooper Newsgroups: bionet.molec-model Subject: fixed atomic potentials Date: Wed, 05 Aug 1998 22:02:03 +0100 Organization: pedal Lines: 12 Message-ID: <35C8C84B.7CD2@rdg.ac.uk> NNTP-Posting-Host: ianbpc.rdg.ac.uk Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.01Gold (Win95; I) dear all, simple modelling question; precisely what the phrase 'the atomic potentials were fixed' means. -does it mean the bond energy term of the energy expression was scaled to 0 any help appreciated thanks l.r.cooper From owner-molec-model@net.bio.net Wed Aug 05 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!cam-news-hub1.bbnplanet.com!news.bbnplanet.com!bloom-beacon.mit.edu!senator-bedfellow.mit.edu!usenet From: David Green Newsgroups: bionet.molec-model Subject: Re: fixed atomic potentials Date: Thu, 06 Aug 1998 09:31:14 -0400 Organization: Massachusetts Institute of Technology Lines: 33 Message-ID: <35C9B021.B7034297@lms.mit.edu> References: <35C8C84B.7CD2@rdg.ac.uk> NNTP-Posting-Host: born.lms.mit.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.05 [en] (X11; U; Linux 2.0.30 i686) Lee Cooper wrote: > SNIP > precisely what the phrase 'the atomic potentials were fixed' means. > > -does it mean the bond energy term of the energy expression was scaled > to 0 > SNIP Could you give a bit more detail about the context. I can think of several things it could mean depending on the context. Essential it should mean that throughout the calculation, the potential function for each atom was unchanged. However this could have different meanings depending on, for example, what type of calculation is being performed (empirical force field such as CHARMM, semi-empirical, ab initio, in house potential, . . . ). Also, does in simply state that the potentials are fixed (i.e. to their initial values) or does it tell you what they were fixed to? -- ************************************************ David F. Green Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Ave., Rm. 6-133 Cambridge, MA 02139 E-mail: dfgreen@lms.mit.edu Phone: (617) 258-6229 ************************************************ From owner-molec-model@net.bio.net Mon Aug 10 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!news.bbnplanet.com!news.maxwell.syr.edu!nntp.news.xara.net!xara.net!server5.netnews.ja.net!server6.netnews.ja.net!dundee.ac.uk!not-for-mail From: John Wilkie Newsgroups: bionet.molec-model Subject: Re: fixed atomic potentials Date: Thu, 06 Aug 1998 16:19:26 +0100 Organization: The University, Dundee, DD1 4HN, Scotland, UK. Lines: 23 Message-ID: <35C9C97E.41C6@st-and.ac.uk> References: <35C8C84B.7CD2@rdg.ac.uk> NNTP-Posting-Host: chsg-jw5-4.st-and.ac.uk Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.01SC-SGI (X11; I; IRIX 5.3 IP22) Lee Cooper wrote: > > dear all, > > simple modelling question; > precisely what the phrase 'the atomic potentials were fixed' means. > > -does it mean the bond energy term of the energy expression was scaled > to 0 > You need to give more in the way of context to get any usefull feedback on this as the statement is not a standard expression. For example in Insight program (Biosym) this would mean that the program was allowed to set the atom types for itself. John -- School of Chemistry and Centre for Biomolecular Science University of St.Andrews, St.Andrews, Fife. KY16 9ST Tel. 01334 476161 x3374 e-mail:jw5@st-and.ac.uk web:http://chsg-jw5-4.st-and.ac.uk/jw5/ ... but not for much longer. From owner-molec-model@net.bio.net Tue Aug 11 23:00:00 1998 Path: biosci!INDIGO14.CARB.NIST.GOV!glab From: glab@INDIGO14.CARB.NIST.GOV (Gilson Job Response) Newsgroups: bionet.molec-model Subject: Bioinformatics/Chemoinformatics research positions in Maryland Date: 12 Aug 1998 12:14:32 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 28 Sender: daemon@net.bio.net Distribution: world Message-ID: <199808121910.PAA20664@indigo14.carb.nist.gov> NNTP-Posting-Host: net.bio.net
BIOINFORMATICS/CHEMOINFORMATICS POSITIONS

CENTER FOR ADVANCED RESEARCH IN BIOTECHNOLOGY (CARB)

Rockville, Maryland

One programmer position and one graduate student or postdoctoral position will soon become available in a project to develop a new web-accessible database. The database will contain experimental data -- thermodynamics, structural data, etc. -- on molecular recognition complexes from biology and chemistry. This database is expected to be of value to researchers in both academia and industry. Funding is from NSF and NIST.

To work on the project, you should have knowledge of database design and the WWW, as well as the scientific background to understand the data and its applications. To apply, please send email with description of your interests and a CV or resume to gilson_lab@carb.nist.gov.

CARB is a research and training institute about 20 miles from DC. Research here focuses on the structure and function of proteins and other biomolecules. CARB is an EEO/AA Employer. Women and minority candidates are encouraged to apply. From owner-molec-model@net.bio.net Tue Aug 11 23:00:00 1998 Newsgroups: bionet.molec-model Path: biosci!news.stanford.edu!newsfeed.berkeley.edu!newsfeed.wli.net!209.98.98.32!chippy.visi.com!news-out.visi.com!uunet!in4.uu.net!news1-gui.server.ntli.net!news-feed.ntli.net!news5-gui.server.ntli.net!news-feed.ntli.net!server4.netnews.ja.net!server2.netnews.ja.net!server6.netnews.ja.net!leeds.ac.uk!news From: bmbjmm@bmb.leeds.ac.uk (Jez Murray) Subject: electron transfer pathways X-Accept-Language: en Message-ID: <35D21AC0.88086975@bmb.leeds.ac.uk> NNTP-Posting-Host: bmbsgi18.leeds.ac.uk X-Mailer: Mozilla 4.5b1 [en] (X11; I; IRIX 6.3 IP32) Content-Type: text/plain; charset=us-ascii Organization: University of Leeds MIME-Version: 1.0 Date: Wed, 12 Aug 1998 23:43:32 +0100 (BST) Lines: 29 Content-Transfer-Encoding: 7bit hi i am working on a free radical enzyme in which the radical seems to decay via electron transfer thro the protein via an unknown path but during its escape it is thought to cleave a disulfide bond on the surface of the protein i would like to propose, and model, various alternative pathways for this escape does anyone know of any software that would enable me to do this? i know BIOSYM has a 'pathways' module that does this but i would prefer not to give hard won funding to the darkside anyone got suggestions or previous experience? -- . .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .- |\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|| ||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \| -' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' ` Jeremy Murray MAIL: bmbjmm@bmb.leeds.ac.uk Biochemistry & Molecular Biology TEL: +44 113 233 2591 Leeds University, LEEDS LS2 9JT FAX: +44 113 233 3167 http://www.smb.leeds.ac.uk/wwwsb/jez.html . .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .- |\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|| ||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \| -' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' ` From owner-molec-model@net.bio.net Tue Aug 11 23:00:00 1998 Path: biosci!news.stanford.edu!nntp.cs.ubc.ca!newsfeed.direct.ca!pln-w!spln!extra.newsguy.com!newsp.newsguy.com!mryan From: mryan@worthpub.com (Mo) Newsgroups: bionet.molec-model Subject: surface modeling on a Mac? Date: Wed, 12 Aug 1998 18:25:23 -0400 Organization: http://extra.newsguy.com Lines: 6 Message-ID: NNTP-Posting-Host: p-117.newsdawg.com X-Newsreader: MT-NewsWatcher 2.4.4 Does anyone know of a freeware program that can do GRASP-type surface modeling on a Mac? Especially nice would be GRASP-type shadow-contrast controls, which give that appealing exagerated depth to surfaces. If not on a Mac, my G3 can run Windows3.11/95 ok and MkLinux (bsd) just fine. What other freeware programs are out there for surface modelling? Thanks. Morgan From owner-molec-model@net.bio.net Wed Aug 12 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!news.bbnplanet.com!newsfeed.corridex.com!newshub.northeast.verio.net!fu-berlin.de!news-ber1.dfn.de!news-ham1.dfn.de!news-han1.dfn.de!news.gwdg.de!not-for-mail From: Christoph Steinbeck Newsgroups: bionet.molec-model,bionet.software Subject: JMDraw - A collection of Java classes for the depiction of connection tables Date: Thu, 13 Aug 1998 18:01:04 +0200 Organization: Max-Planck-Institute of Chemical Ecology Lines: 43 Message-ID: <35D30DC0.B94923B6@ice.mpg.de> Reply-To: steinbeck@ice.mpg.de NNTP-Posting-Host: 195.37.47.78 Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.05 [en] (WinNT; I) Xref: biosci bionet.molec-model:2206 bionet.software:21674 It is my pleasure to announce JMDraw - A collection of Java classes for the depiction of connection tables. In other words, JMDraw produces a 2D drawing of a chemical structure for which no obvious layout information is available in the dataset, as is the case e. g. with connection tables. I wrote this collection of classes that make up JMDraw based on an article by Bley, Brandt, Dengler, Frank and Ugi, published in Journal of Chemical Research (M), 1991, 2601-2689, and made a large number of changes. Beside the fact that their program was written in C and thus almost everything had to re-written in Java, I added a newer and much more effective ring perception algorithm by John Figueras, J. Chem. Inf. Comput. Sci. 1996, 36, 986-991, so that now even large condensed polycyclic molecules are depicted in less than a second. JMDraw is free software released under the terms of the GNU General Public License (GNU-GPL) (please see http://www.gnu.org/copyleft/gpl.html for more). Needless to say that JMDraw is far from being perfect but I hope that I'll find collaborators that help me make it better. For demonstration purposes I have wrapped JMDraw with a SSMILES parser and put all on my web pages as an applet. Please visit http://seneca.ice.mpg.de/~stein/SmilesViewer/SmilesViewer.html to see the result. Cheers, Chris -- Dr. Christoph Steinbeck (mailto:steinbeck@ice.mpg.de - http://seneca.ice.mpg.de/~stein) Max-Planck-Institute of Chemical Ecology (http://www.ice.mpg.de) Tatzendpromenade 1a, 07745 Jena, Germany Tel: int + (49) 3641 643644 --- Fax: int + (49) 3641 643665 What is man but that lofty spirit -- that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. From owner-molec-model@net.bio.net Fri Aug 14 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!news.bbnplanet.com!howland.erols.net!vixen.cso.uiuc.edu!jestone From: jestone@staff.uiuc.edu (stone john e) Newsgroups: bionet.molec-model Subject: VMD "Visual Molecular Dynamics" 1.2 Released Date: 15 Aug 1998 03:26:43 GMT Organization: University of Illinois at Urbana-Champaign Lines: 136 Message-ID: <6r2v5j$8mo$1@vixen.cso.uiuc.edu> NNTP-Posting-Host: staff1.cso.uiuc.edu VMD "Visual Molecular Dynamics" 1.2 Release Announcement -------------------------------------------------------- The Theoretical Biophysics group at the University of Illinois and the Beckman Institute For Advanced Science and Technology is happy to announce the availability of version 1.2 of the program VMD, a package for the vizualization and analysis of biomolecular systems. This software is being made available to the structural biology research community free of charge, and includes the source code for VMD, documentation, and precompiled binaries for IBM, HP, Linux, Sun, and SGI Unix systems. The documentation includes an installation guide, a users guide, and a programmers guide for interested researchers. VMD also provides on-line help through the use of an external HTML viewer. A full description of VMD is available via the VMD WWW home page: http://www.ks.uiuc.edu/Research/vmd/ Changes to VMD 1.2 since VMD 1.1: --------------------------------- o Many updates to VMD documentation o VMD now supports OSF1/Digital Unix 4.x on DEC Alpha with OpenGL or Mesa o Dihedral angles are now reported in the proper range o Various small bug fixes, and portability enhancements -- 1.2 beta 4 o Improved display of 3-D axis labels "X","Y","Z". o Fixed POV, POV3, Art, Raster3D, and Rayshade renderer export codes. o Fixed the "write" function found in the "edit animation" dialog. o VMD runs in the Cave simulator now. -- 1.2 beta 3 o VMD now supports AIX 4.x with the native AIX OpenGL implementation o OpenGL rendering speed has been improved by 2-5x on several platforms o OpenGL version now correctly supports stereo-in-a-window o OpenGL/GL versions are now able to interoperate with VMD scripts created in by one or the other. o Upgraded to use newer XForms libraries, which fix some GUI/Mouse bugs o VMD upgraded to compile with the 2.6c release of the CAVE libraries o VMD code now builds with much pickier C++ compilers (i.e. HP aCC) o New Linux binary distributions have working file browser now. o New Linux RPM style binary distribution o New HPUX10-OpenGL binaries for Visualize-FX hardware accelerators o New AIX4-OpenGL binaries for IBM OpenGL hardware accelerators o Many bug fixes -- 1.2 beta 2 o VMD has been ported to Sun Solaris 2. o Upgraded to support Linux RedHat 5.0 o OpenGL support works with native HP-UX and Sun OpenGL implementations o Added Tk support and upraded to Tcl/Tk 8.0 o Upgraded to Babel 1.6 o Added support for MSMS, a program for calculating molecular surfaces o Added support for Grasp file format o Typing in a command without arguments will print a help message o Added more commands to Tcl scripting interface o Many bug fixes -- 1.2 beta 1 o This biggest improvement in version 1.2b1 support for platforms other than GL-based SGIs. In addition to the full source and SGI binary distributions, VMD is now available for HP-UX (tested under 9 and 10) and Linux. o Greatly enhanced Tcl scripting commands for performing molecular analysis, writing scripts, developing tutorials, etc. o New rendering styles, a fast (and cheap) solvent accessible surface and C-alpha and P trace method, and improvements to the existing styles. o New output renderer formats: Postscript, VRML and STL (a stereo-lithography format) o Support for Amber structure and animation file formats ============= Basic information about VMD ================= Features -------- VMD is designed for the visualization and analysis of biological systems such as proteins, nucleic acids, lipid bilayer assemblies, etc. It may be used to view more general molecules, as VMD can read standard Protein Data Bank (PDB) files and display the contained structure. VMD provides a wide variety of methods for rendering and coloring a molecule: simple points and lines, CPK spheres and cylinders, licorice bonds, backbone tubes and ribbons, cartoon drawings, and others. VMD can be used to animate and analyze the trajectory of a molecular dynamics (MD) simulation. In particular, VMD can act as a graphical front end for an external MD program by displaying and animating a molecule undergoing simulation on a remote computer. The program has many features, which include: o No limits on the number of molecules, atoms, residues or number of animation frames, excepting available memory. o Many molecular rendering and coloring methods. o Stereo display capability. o Extensive atom selection syntax for choosing subsets of atoms for display (includes boolean operators, regular expressions, and more). o Integration with the program 'Babel' which allows VMD to read many molecular data file formats. Even without the use of Babel, VMD can read PDB files, as well as CHARMM- and X-PLOR compatible binary DCD files and X-PLOR compatible PSF files. o Ability to write the current image to a file which may be processed by a number of popular raytracing and image rendering packages, including POV-Ray, Rayshade, Raster3D, and Radiance. o Extensive graphical and text-based user interfaces, which use the Tcl package to provide full scripting capabilities. o Extensions to the Tcl language which enable researchers to write their own routines for molecular analysis o Modular, extensible source code using an object-oriented design in C++, with a programmer's guide describing the source code o Integration with the program NAMD, a fast, parallel, and scalable molecular dynamics program developed in conjunction with VMD in the Theoretical Biophysics Group at the University of Illinois. See the NAMD WWW home page for more info: http://www.ks.uiuc.edu/Research/namd/ VMD can be used to set up and concurrently display an MD simulation using NAMD. The two programs, along with the intermediary communcations package (called MDComm) constitute the 'MDScope' interactive environment. Availability ------------ The software is available for downloading from http://www.ks.uiuc.edu/Research/vmd/ Please email any questions to vmd@ks.uiuc.edu. VMD, NAMD, and the entire MDScope environment are part of an ongoing project within the Theoretical Biophysics group to help provide free, effective tools for molecular dynamics studies in structural biology. For more information, see http://www.ks.uiuc.edu/Research/MDScope/ This project is funded by the National Institutes of Health. (grant number PHS 5 P41 RR05969) John Stone vmd@ks.uiuc.edu August 1, 1998 From owner-molec-model@net.bio.net Sat Aug 15 23:00:00 1998 Path: biosci!news.stanford.edu!logbridge.uoregon.edu!sunqbc.risq.qc.ca!news.uow.edu.au!news.usyd.edu.au!not-for-mail From: shoba Newsgroups: bionet.molec-model Subject: Re: surface modeling on a Mac? Date: Mon, 17 Aug 1998 09:27:54 +1000 Organization: ANGIS Lines: 31 Message-ID: <35D76AFA.351353DA@angis.org.au> References: NNTP-Posting-Host: surya.angis.org.au Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Trace: metro.ucc.usyd.edu.au 903310009 21493 129.78.25.133 (16 Aug 1998 23:26:49 GMT) X-Complaints-To: usenet@news.usyd.edu.au NNTP-Posting-Date: 16 Aug 1998 23:26:49 GMT X-Mailer: Mozilla 4.05 [en] (Win95; I) Try MOLMOL (http://odin.ethz.ch/wuthrich/software/molmol/) - freeware: "The program runs under UNIX, using Motif and supporting various graphics libraries (GL, OpenGL, XGL, X11), and under Windows, using Win32 and OpenGL." Shoba Note: the electrostatic potential on the molecular surface computed from MolMol is based on a 2A grid (default setup) and can get memory intensive for a large molecular system. Mo wrote: > > Does anyone know of a freeware program that can do GRASP-type surface > modeling on a Mac? Especially nice would be GRASP-type shadow-contrast > controls, which give that appealing exagerated depth to surfaces. > If not on a Mac, my G3 can run Windows3.11/95 ok and MkLinux (bsd) just > fine. What other freeware programs are out there for surface modelling? > Thanks. Morgan -- ==============================*** UPDATED ***========================== Shoba Ranganathan, Ph D Tel:+61-2-9351-1870 ANGIS, Bay 16, Suite 104 Toll free:1-800-728-028 Australian Technology Park Fax:+61-2-9351-1878 Eveleigh NSW 1430 Australia Personal URL: http://seal.angis.org.au/~shoba ================MolMod Home Page: http://molmod.angis.org.au=========== From owner-molec-model@net.bio.net Mon Aug 17 23:00:00 1998 Path: biosci!news.stanford.edu!logbridge.uoregon.edu!news.idt.net!newsfeed.internetmci.com!128.174.5.49!vixen.cso.uiuc.edu!not-for-mail From: lu@ks.uiuc.edu (Hui Lu) Newsgroups: bionet.molec-model Subject: Job Opening: Research Programmer Date: 18 Aug 1998 01:45:07 GMT Organization: University of Illinois at Urbana-Champaign Lines: 30 Message-ID: <6ramb3$p4v$10@vixen.cso.uiuc.edu> NNTP-Posting-Host: monaco.ks.uiuc.edu X-Newsreader: Alexandra.app (Version 0.82) The Theoretical Biophysics Group at the University of Illinois at Urbana-Champaign (UIUC) is inviting applications for a research programmer position. The group develops MDScope, a set of molecular modeling tools for large-scale biological structures. For more information about MDScope, see http://www.ks.uiuc.edu/Research/mdscope/ . This position will continue the development of NAMD, a parallel molecular dynamics program, which is a key component of MDScope. The work will include programming in C++, developing new parallel as well as sequential modules, extending the functionality of existing modules, writing documentation, debugging, and testing. For more information, see http://www.ks.uiuc.edu/Research/namd/ . Application information: available immediately. To receive full consideration, applications must be received by September 11, 1998. To apply, please send resume (e-mail preferred, no attached files) with cover letter and three references to: Dr. Gila Budescu gila@ks.uiuc.edu (217)244-6914 Beckman Institute 405 N. Mathews Ave Urbana, IL 61801 For a more detailed job description look at: http://www.ks.uiuc.edu/Services/Events/GP.html The University Of Illinois is an AA-EOE. From owner-molec-model@net.bio.net Mon Aug 17 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!news.bbnplanet.com!rill.news.pipex.net!pipex!main.de.uu.net!news-koe1.dfn.de!news.rz.uni-duesseldorf.de!usenet From: arne kuhn Newsgroups: bionet.molec-model Subject: extracellular Date: Tue, 18 Aug 1998 17:44:28 +0200 Organization: Heinrich Heine Universitaet Duesseldorf Lines: 13 Message-ID: <35D9A15B.167E@pharm.uni-duesseldorf.de> NNTP-Posting-Host: alberich01.pharm.uni-duesseldorf.de Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.01SGoldC-SGI (X11; I; IRIX 6.3 IP32) Hi, I am looking for a list containing only extracellular located entries of the PDB. Has anybody an idea where to find it? Thanks Arne -- Arne Kuhn | Inst. Pharmazeutische Chemie phone +49 211-811 36 62 | Heinrich-Heine-Universitaet fax +49 211-811 38 47 | Universitaetstr. 1, Geb. 26.23 e-mail kuhn@pharm.uni-duesseldorf.de | 40225 Duesseldorf From owner-molec-model@net.bio.net Mon Aug 17 23:00:00 1998 Path: biosci!daresbury!usenet From: Mark Faller Newsgroups: bionet.software,dl.seqnet.ccp11,dl.seqnet.general,embnet.general,dl.comp.seqnet,bionet.general,bionet.molec-model Subject: Re: Contributions wanted for the sixth CCP11 newsletter [UK only] Date: Tue, 18 Aug 1998 14:52:52 +0100 Organization: Daresbury Lab, Warrington, U.K. Lines: 21 Distribution: bionet Message-ID: <35D98732.CFD93434@dl.ac.uk> References: <35D93850.EF1FAFD7@dl.ac.uk> NNTP-Posting-Host: s-ind1.dl.ac.uk Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.04 [en] (X11; I; IRIX 5.3 IP12) Xref: biosci bionet.software:21694 bionet.general:30592 bionet.molec-model:2211 My apologies, the closing date for submitting articles to the next CCP11 newsletter is the 30 September 1998. > -- -------------------------------------------------------------------- | Mark Faller | E-mail: m.g.faller@dl.ac.uk | | CCP11 | Tel: +44-1925-603492 | | Daresbury Laboratory | Fax: +44-1925-603100 | | Daresbury |-----------------------------------------| | Warrington | CCP11 - Collaborative Computational | | Cheshire | Project for Biosequence and | | WA4 4AD | structure analysis | | United Kingdom | http://www.dl.ac.uk/CCP/CCP11/ | -------------------------------------------------------------------- From owner-molec-model@net.bio.net Mon Aug 17 23:00:00 1998 Path: biosci!daresbury!usenet From: Mark Faller Newsgroups: bionet.software,dl.seqnet.ccp11,dl.seqnet.general,embnet.general,dl.comp.seqnet,bionet.general,bionet.molec-model Subject: Contributions wanted for the sixth CCP11 newsletter [UK only] Date: Tue, 18 Aug 1998 09:16:17 +0100 Organization: Daresbury Lab, Warrington, U.K. Lines: 46 Distribution: bionet Message-ID: <35D93850.EF1FAFD7@dl.ac.uk> NNTP-Posting-Host: s-ind1.dl.ac.uk Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.04 [en] (X11; I; IRIX 5.3 IP12) Xref: biosci bionet.software:21691 bionet.general:30591 bionet.molec-model:2210 Articles are required for the next CCP11 newsletter. The newsletter is published quaterly as an electronic document and is available over the internet as a WWW document. The areas covered in each newlettter are decided by which articles are sent to me to be published. It is hoped the articles will then lead to further discussions on the CCP11 bulletin board. This will be our sixth publication of the CCP11 newsletter. The previous editions of the newsletter can be found at: http://www.dl.ac.uk/CCP/CCP11/newsletter/index.html If you would like to contribute to our next publication please send your article as an electronic document to me (email address at bottom). As the newsletter will be published on the internet your article should be sent in a html format. This will allow you to add your own formatting and any hyperlinks to other documents. Originally the CCP11 project was set up to discuss the role of bioinformatics in the scientific community and to establish a community within bioinformatic groups throughout the UK. As a CCP project one of its roles is a newsletter to increase the discusion within the bioinformatics community and to keep people in touch. The closing date for articles is the 26 June 1998. Regards, Mark. -- -------------------------------------------------------------------- | Mark Faller | E-mail: m.g.faller@dl.ac.uk | | CCP11 | Tel: +44-1925-603492 | | Daresbury Laboratory | Fax: +44-1925-603100 | | Daresbury |-----------------------------------------| | Warrington | CCP11 - Collaborative Computational | | Cheshire | Project for Biosequence and | | WA4 4AD | structure analysis | | United Kingdom | http://www.dl.ac.uk/CCP/CCP11/ | -------------------------------------------------------------------- From owner-molec-model@net.bio.net Mon Aug 17 23:00:00 1998 Path: biosci!reading.ac.uk!l.r.cooper From: l.r.cooper@reading.ac.uk (Lee Cooper) Newsgroups: bionet.molec-model Subject: fixed atomic potentials Date: 18 Aug 1998 08:56:59 -0700 Organization: pedal Lines: 34 Sender: daemon@net.bio.net Distribution: world Message-ID: <35D9A44A.2292@rdg.ac.uk> NNTP-Posting-Host: net.bio.net dear john wilkie, thanks for your reply >You need to give more in the way of context to get any usefull feedback >on this as the statement is not a standard expression. that's exactly what i thought, the statement was made in this context; ' pdb files were downloaded from the SEQNET facility at daresbury. all minimizations and molecular dynamics were performed using biosym insightII and discover software running on a sgi 4D/25. hydrogens were added to the structure at a simulated pH of 7.5 and the atomic potentials were fixed, and the molecule minimized.' >For example in Insight program (Biosym) this would mean that the >program was allowed to set the atom types for itself. is this the same as automatic typing in later versions? i still don't understand how the terms atomic potentials (quantitative) and atom types (qualitative) can be used interchangably. i am going to check the insightII documentation for a definition, but a little more insight (ouch) from would be greatly appreciated. many thanks -- all the best lee ================================================== \Mr. Lee R. Cooper Bsc(Hons), Dept. of Comp. Sci., \ \University of Reading, Whiteknights PoBox 225, \ \Reading, Berkshire. RG6 6AY (UK) Fax 0118 975 1994\ \Tel +44 (0)118 987 5123 x7645 (0915-1700) \ \Tel +44 (0)118 931 8188 x7817 (1900-2300) \ ================================================== From owner-molec-model@net.bio.net Tue Aug 18 23:00:00 1998 Path: biosci!news.stanford.edu!su-news-feed2.bbnplanet.com!su-news-hub1.bbnplanet.com!london-news-feed1.bbnplanet.com!news.bbnplanet.com!diablo.theplanet.net!news-lond.gip.net!news.gsl.net!gip.net!nntp.news.xara.net!xara.net!server5.netnews.ja.net!news.york.ac.uk!not-for-mail From: Stuart Priest Newsgroups: bionet.xtallography,bionet.molec-model Subject: Places still available on course Date: Wed, 19 Aug 1998 14:15:05 +0100 Organization: Protein Structure Group, University of York Lines: 14 Sender: sap1@york.ac.uk Message-ID: <35DACFD9.DF51A1@yorvic.york.ac.uk> NNTP-Posting-Host: heffalump.chem.york.ac.uk Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.05C-SGI [en] (X11; I; IRIX 6.2 IP22) Xref: biosci bionet.xtallography:4354 bionet.molec-model:2214 Dear all There are still places available on the following course ... Practical Introduction to Molecular Modelling, Informatics and Design Sunday 13 September - Thursday 17 September, 1998. http://www.york.ac.uk/depts/chem/extern/extcourses/molgra98.htm Stuart Priest, Computer Manager, Tel. 44 1904 432592, FAX 410519 York Structural Biology Laboratory, University of York From owner-molec-model@net.bio.net Wed Aug 19 23:00:00 1998 From: "vito" Subject: cancer Date: Thu, 20 Aug 1998 00:02:17 +0200 Lines: 1760 MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="----=_NextPart_000_003B_01BDCBCD.CB3C41E0" X-Newsreader: Microsoft Outlook Express 4.72.2106.4 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.2106.4 Message-ID: <35db4341.0@news.pronet.it> Newsgroups: bionet.molec-model Path: biosci!daresbury!uninett.no!news.algonet.se!news-fra.maz.net!news-fra1.dfn.de!news-ge.switch.ch!serra.unipi.it!news.caspur.it!newsmcis.uni.net!news.pronet.it!ancona-01.ppp02.pronet.it NNTP-Posting-Host: news.pronet.it 194.183.5.9 Messaggio a pił sezioni in formato MIME. ------=_NextPart_000_003B_01BDCBCD.CB3C41E0 Content-Type: multipart/alternative; boundary="----=_NextPart_001_003C_01BDCBCD.CB3C41E0" ------=_NextPart_001_003C_01BDCBCD.CB3C41E0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable new? (vi serve un modello?) allegato in formato word6 per win. ------=_NextPart_001_003C_01BDCBCD.CB3C41E0 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

new?  (vi serve un = modello?)  allegato=20 in formato word6 per win.
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