From owner-chemistry@ccl.net Wed Apr 11 08:59:01 2007 From: "Heike Meiselbach Heike.Meiselbach!=!biochem.uni-erlangen.de" To: CCL Subject: CCL: BiBTeX & LyX Message-Id: <-34017-070410124406-3761-Tntlhwe1zdxcQZPpCw0nvQ++server.ccl.net> X-Original-From: Heike Meiselbach Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 10 Apr 2007 18:10:27 +0200 MIME-Version: 1.0 Sent to CCL by: Heike Meiselbach [Heike.Meiselbach%a%biochem.uni-erlangen.de] Hi, you can use jabref (http://jabref.sourceforge.net/). It works fine with Lyx or Kile ... Good luck, Heike Chris Howard c.k.howard!^!reading.ac.uk wrote: > Hi, > > > > I am trying to write my Thesis in Lyx however I am finding it really > hard to keep my references organised. I was told BiBTeX can be used to > control this including the essential tool of sorting my references > into order! So basically, does anyone know how to go from a normal lyx > version to a bibtex version? All the documentation on the web has > utterly confused me. I was hoping for a step by step guide, if anyone > has one. > > > > All the best, and thank you, > > > > Chris > -- Heike Meiselbach, Dipl.Biol.Univ. Abteilung f. Bioinformatik Institut f. Biochemie Friedrich-Alexander-Universitaet Erlangen-Nuernberg Fahrstrasse 17 D-91054 Erlangen Germany Tel: +49 9131 85-24675 Fax: +49 9131 85-22485 From owner-chemistry@ccl.net Wed Apr 11 09:36:01 2007 From: "Zeyar Aung azeyar _ i2r.a-star.edu.sg" To: CCL Subject: CCL: BiBTeX & LyX Message-Id: <-34018-070411004911-12230-md/RRyrlb99fT55UeJh1kw{}server.ccl.net> X-Original-From: Zeyar Aung Content-class: urn:content-classes:message Content-transfer-encoding: 7BIT Content-type: text/plain; charset=iso-8859-1 Date: Wed, 11 Apr 2007 11:44:07 +0800 MIME-version: 1.0 Sent to CCL by: Zeyar Aung [azeyar-.-i2r.a-star.edu.sg] Hi Chris, Maybe my solution is tricky. But it works. Pls download a step-by-step guide from: http://www1.i2r.a-star.edu.sg/~azeyar/Download/Lyx_Bibtex.pdf If you have any queries, pls feel free to ask me. Best regards, Zeyar Aung Research Fellow Institute for Infocomm Research (azeyar~~i2r.a-star.edu.sg) ________________________________ > From: Chris Howard c.k.howard!^!reading.ac.uk [mailto:owner-chemistry~~ccl.net] Sent: Tue 4/10/2007 7:37 PM To: Zeyar Aung Subject: CCL: BiBTeX & LyX Hi, I am trying to write my Thesis in Lyx however I am finding it really hard to keep my references organised. I was told BiBTeX can be used to control this including the essential tool of sorting my references into order! So basically, does anyone know how to go from a normal lyx version to a bibtex version? All the documentation on the web has utterly confused me. I was hoping for a step by step guide, if anyone has one. All the best, and thank you, Chris ------------ Institute For Infocomm Research - Disclaimer ------------- This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. -------------------------------------------------------- From owner-chemistry@ccl.net Wed Apr 11 10:30:04 2007 From: "Renan Yson renan.yson..gmail.com" To: CCL Subject: CCL: BiBTeX & LyX Message-Id: <-34019-070410131338-6429-8BGWz6bLCrYazSdRpU+21A(a)server.ccl.net> X-Original-From: "Renan Yson" Content-Type: multipart/alternative; boundary="----=_Part_27339_2061492.1176221611018" Date: Tue, 10 Apr 2007 12:13:31 -0400 MIME-Version: 1.0 Sent to CCL by: "Renan Yson" [renan.yson..gmail.com] ------=_Part_27339_2061492.1176221611018 Content-Type: text/plain; charset=UTF-8; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline hi, you can give JabRef (http://jabref.sourceforge.net/) a try. it's a bibliographic manager written in java, and uses BibTeX as the default format. one cool thing about it is that it can automatically generate bibtex keys, can import a variety of formats, and integrates into LyX and kile, so you can do something similar to cite-while-you-write feature of Endnote. hope this helps. On 4/10/07, Chris Howard c.k.howard!^!reading.ac.uk wrote: > > Hi, > > > > I am trying to write my Thesis in Lyx however I am finding it really hard > to keep my references organised. I was told BiBTeX can be used to control > this including the essential tool of sorting my references into order! So > basically, does anyone know how to go from a normal lyx version to a bibtex > version? All the documentation on the web has utterly confused me. I was > hoping for a step by step guide, if anyone has one. > > > > All the best, and thank you, > > > > Chris > -- Renan Yson PGP: CB5F0B2A // Linux User: #344992 ``But when the realm of practicality has been established, and it is known that the page must fall within certain limits, how is one to choose? By taking whatever is easiest, or biggest ...? By trusting to blind instinct? Instinct, in matters such as these, is largely memory in disguise. It works quite well when it is trained, and poorly otherwise.'' --- The Elements of Typograhic Style, version 3.0, p 143, by Robert Bringhurst ------=_Part_27339_2061492.1176221611018 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: 7bit Content-Disposition: inline hi,

you can give JabRef (http://jabref.sourceforge.net/) a try. it's a bibliographic manager written in java, and uses BibTeX as the default format. one cool thing about it is that it can automatically generate bibtex keys, can import a variety of formats, and integrates into LyX and kile, so you can do something similar to cite-while-you-write feature of Endnote.

hope this helps.

On 4/10/07, Chris Howard c.k.howard!^!reading.ac.uk <owner-chemistry__ccl.net> wrote:

Hi,

 

I am trying to write my Thesis in Lyx however I am finding it really hard to keep my references organised. I was told BiBTeX can be used to control this including the essential tool of sorting my references into order! So basically, does anyone know how to go from a normal lyx version to a bibtex version? All the documentation on the web has utterly confused me. I was hoping for a step by step guide, if anyone has one.

 

All the best, and thank you,

 

Chris




--
Renan Yson
PGP: CB5F0B2A // Linux User: #344992

``But when the realm of practicality has been established, and it is known that the page must fall within certain limits, how is one to choose? By taking whatever is easiest, or biggest ...? By trusting to blind instinct? Instinct, in matters such as these, is largely memory in disguise. It works quite well when it is trained, and poorly otherwise.''
                                                                  --- The Elements of Typograhic Style, version 3.0, p 143, by Robert Bringhurst ------=_Part_27339_2061492.1176221611018-- From owner-chemistry@ccl.net Wed Apr 11 10:50:01 2007 From: "Gopakumar gopakumar__chem.kuleuven.be" To: CCL Subject: CCL: Simulated Annealing -Turbomole Message-Id: <-34020-070411101437-23085-tLsg54XWXBIv+px/7LxsUw .. server.ccl.net> X-Original-From: Gopakumar Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Wed, 11 Apr 2007 16:14:22 +0200 (CEST) MIME-Version: 1.0 Sent to CCL by: Gopakumar [gopakumar=-=chem.kuleuven.be] Hello, Has any body got any experience in performing simulated annealing with Turbomole. Is there any tutorial or sample input files for some simple molecules, so that one can test, learn and perform it by himself/herself. any help is much appreciated -Gopakumar __________________________________________________________ G. Gopakumar, Division of Quantum Chemistry and Physical Chemistry, Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium. e-mail: gopakumar[-]chem.kuleuven.be Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm From owner-chemistry@ccl.net Wed Apr 11 11:45:00 2007 From: "jitendra singh jsingh_scs:-:yahoo.co.in" To: CCL Subject: CCL: procedure for TS calculation Message-Id: <-34021-070410101000-16173-6YQGuNTd38amvVfJrfn5YQ[A]server.ccl.net> X-Original-From: jitendra singh Content-Type: multipart/alternative; boundary="0-1036224963-1176210585=:95979" Date: Tue, 10 Apr 2007 18:39:45 +0530 (IST) MIME-Version: 1.0 Sent to CCL by: jitendra singh [jsingh_scs*|*yahoo.co.in] --0-1036224963-1176210585=:95979 Content-Type: text/plain; charset=ascii hello friends I am newer in the branch of computational chemistry. any one please help me to calculate TS and give me step by step procedure for GRID,TS, IRC, FORCE calculations using MOPAC2007. Thanks in advance. jsingh Send a FREE SMS to your friend's mobile from Yahoo! Messenger. Get it now at http://in.messenger.yahoo.com/ --0-1036224963-1176210585=:95979 Content-Type: text/html; charset=ascii
hello friends I am newer in the branch of computational chemistry. any one please help me to calculate TS and give me step by step procedure for GRID,TS, IRC, FORCE calculations using MOPAC2007.
Thanks in advance.
jsingh

 

Check out what you're missing if you're not on Yahoo! Messenger --0-1036224963-1176210585=:95979-- From owner-chemistry@ccl.net Wed Apr 11 21:38:01 2007 From: "Rajarshi Guha rajarshi.guha(0)gmail.com" To: CCL Subject: CCL: BiBTeX & LyX Message-Id: <-34022-070411063406-26381-oL06UMTwNkbLmtknmmkdIA:_:server.ccl.net> X-Original-From: Rajarshi Guha Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Tue, 10 Apr 2007 11:20:35 -0400 Mime-Version: 1.0 Sent to CCL by: Rajarshi Guha [rajarshi.guha{:}gmail.com] On Tue, 2007-04-10 at 12:37 +0100, Chris Howard c.k.howard!^! reading.ac.uk wrote: > I am trying to write my Thesis in Lyx however I am finding it really > hard to keep my references organised. I was told BiBTeX can be used to > control this including the essential tool of sorting my references > into order! So basically, does anyone know how to go from a normal lyx > version to a bibtex version? All the documentation on the web has > utterly confused me. I was hoping for a step by step guide, if anyone > has one. I use BibTeX regularly along with Emacs, which allows me to get the ref I want pretty easily. You can also use Jabref to handle your BibTeX collection via a GUI. When writing a document all you need to do is add \bibliographystyle{jcics} \bibliography{paper} at the end of the document. For the above code to work, you should have jcics.bst and paper.bib in the current directory. To just use plain referencing (such as [1]) you can do \bibliographystyle{plain} \bibliography{paper} See http://www.cs.duke.edu/courses/cps300/fall01/bibtex/quick.tutorial.html or http://cmtw.harvard.edu/Documentation/TeX/Bibtex/Example.html ------------------------------------------------------------------- Rajarshi Guha GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- C Code. C Code Run. Run, Code, RUN! PLEASE!!!! From owner-chemistry@ccl.net Wed Apr 11 22:19:01 2007 From: "Stefan Taubert stefan.taubert()helsinki.fi" To: CCL Subject: CCL: Simulated Annealing -Turbomole Message-Id: <-34023-070411150951-7030-74T/WJ4rAfkcdp/03Br+BQ ~ server.ccl.net> X-Original-From: Stefan Taubert Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii Date: Wed, 11 Apr 2007 20:57:29 +0300 MIME-Version: 1.0 Sent to CCL by: Stefan Taubert [stefan.taubert|helsinki.fi] Hello, TM can do it, and a start you get by looking at the tutorial at http://www.cosmologic.de/QuantumChemistry/tb-documentation.html There you also find the manual, which helps you through the setup and keywords (look for the topics "molecular dynamics calculations" and "keywords for module frog"). After setting up the calculation with define, type "mdprep" to get to the interactive setup for the molecular dynamics. This will give you a file named mdmaster, which you also can edit by hand afterwards. The annealing rate should be close to one, the value used in the tutorial is somewhat strange. Good luck and all the best, Stefan Taubert Quoting "Gopakumar gopakumar__chem.kuleuven.be" : > > Sent to CCL by: Gopakumar [gopakumar=-=chem.kuleuven.be] > Hello, > > Has any body got any experience in performing simulated annealing > with > Turbomole. Is there any tutorial or sample input files for some simple > molecules, so that one can test, learn and perform it by > himself/herself. > > any help is much appreciated > > -Gopakumar > > __________________________________________________________ > G. Gopakumar, > > Division of Quantum Chemistry and Physical Chemistry, > Department of Chemistry, University of Leuven, > Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium. > e-mail: gopakumar[-]chem.kuleuven.be > > > Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm> > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > search)> > > >