From owner-chemistry@ccl.net Wed Feb 14 00:54:00 2007 From: "Iman Nurchaedi s103iman-,-mail.chem.itb.ac.id" To: CCL Subject: CCL: need algorithm for DNA Mutation Analysis Message-Id: <-33604-070213212950-30006-bw1ZOBd3vWPkFlEC2pXSCg * server.ccl.net> X-Original-From: "Iman Nurchaedi" Date: Tue, 13 Feb 2007 21:29:44 -0500 Sent to CCL by: "Iman Nurchaedi" [s103iman~~mail.chem.itb.ac.id] hallo guys, did any one of you had algorithm to detect mutation in DNA, i'm trying to make a simple computer program to analyze mutation in DNA by comparing the sample DNA with a reference DNA. but until right now i did foung the right algorithm to find the mutation. did any one of you have?? From owner-chemistry@ccl.net Wed Feb 14 01:29:01 2007 From: "Craig A. James cjames!A!emolecules.com" To: CCL Subject: CCL: [Open Babel] Teaching Wikipedia Chemistry - We need yout vote Message-Id: <-33605-070213204348-26966-LYLpHJnyiZ5B+76vrDeXKA##server.ccl.net> X-Original-From: "Craig A. James" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 13 Feb 2007 16:47:16 -0800 MIME-Version: 1.0 Sent to CCL by: "Craig A. James" [cjames^emolecules.com] Joerg, joerg.wegner wrote: > If you would like to see substructure searches and proper SMILES in > Wikipedia it would push the priority, if you 'Vote for this bug' (actually > feature request) at > http://bugzilla.wikimedia.org/show_bug.cgi?id=7514 > Unfortunately you have to create an account, so it's up to you if you really > want to do that. I agree wholeheartedly that substructure searching of Wikipedia is an excellent idea. But in my opinion, Wikipedia itself is not the place to do it. The web is already divided into content providers (most web sites) and search engines. Wikipedia is primarily an information repository, not a search engine. Even for text searches, many users choose Google, Yahoo, MSN, Jeeves or another good text search engine to find Wikipedia articles. Why not do the same for chemistry? I suggest an alternative approach: Provide a standardized format for submission of chemical structures to Wikipedia, and let the chemistry search engines and projects provide the search service. If every structure in Wikipedia had a standard chemical identifier (InChI, SMILES, SDF, etc.), identified by a chemical mime type, then projects like PubChem, MDL's DiscoveryGate, Chemical Abstracts Service, and my company, eMolecules.com, will be able to find the Wikipedia entries, and provide excellent substructure searching of Wikipedia. Building a cheminformatics system is a very big job, and requires ongoing, active participation by a cheminformatics expert. (Actually, this should be a chemical registry system, which is even more complex.) Wikipedia could become the largest single public source of chemical data in the world. Maintaining such a cheminformatics system is no small job. The effort could be better spent standardizing the mime types, and rewriting the existing Wikipedia pages, so that web robots can find the chemical identifiers and add them to their search engines. Indeed, even if you decide to build substructure search into Wikipedia itself, it will require this very same thing: well documented mime types and formats that Wikipedia supports. So this is something the Wikipedia community needs to address either way. And once you do this, the web robots can automatically start indexing Wikipedia for you. Furthermore, standardized mime types are neutral -- it doesn't favor any one search engine, company, or technology over another. Any company that thinks they can provide a decent search service is welcome to try, and may the best one win. The web is about collaboration. Let Wikipedia remain what it is -- an information repository for the world's largest collaborative encyclopedia. But in addition, *standardize* the chemical identifiers so that chemistry search engines can find them. Craig James CTO, eMolecules.com P.S. I don't subscribe to all of the lists to which you sent your original message. If you think this email is worth further discussion, could you please forward it to the other lists? I only subscribe to OpenBabel. Thanks. -- +================================================== | Craig A. James | Chief Technology Officer, eMolecules, Inc. | PO Box 2790, Del Mar, CA 92014-5790, USA | cell: 760-212-9201 fax: 858-605-9605 | cjames#,#emolecules.com http://www.emolecules.com +================================================== From owner-chemistry@ccl.net Wed Feb 14 15:30:00 2007 From: "Joseph M Leonard jleonard42[]gmail.com" To: CCL Subject: CCL: C Programming question Message-Id: <-33606-070214150149-23282-+SdYsbBu/bN+poyWNO8Zyg-.-server.ccl.net> X-Original-From: "Joseph M Leonard" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 14 Feb 2007 14:24:47 -0500 MIME-Version: 1.0 Sent to CCL by: "Joseph M Leonard" [jleonard42=gmail.com] I assume there are people reading CCL that are more into the nuances of C than I have been. I've got a question for these folks... Is there a function similar to sizeof(var) that returns the type rather than the byte-size of the specified variable? I'm aware of the stdarg stuff that lets me check whether an argument is a particular type, but I'd like to be able to do something like #define func(x) func_fn(x,type(x)) where the daughter routine knows what type of variable has been passed in. I've been doing a bit of googling using various phrases, and nothing obvious has come back... Your help is greatly appreciated! Joe Leonard jleonard42|,|gmail.com From owner-chemistry@ccl.net Wed Feb 14 18:46:00 2007 From: "Joseph M Leonard jleonard42.**.gmail.com" To: CCL Subject: CCL: Changes of address Message-Id: <-33607-070214184311-28634-/5skQuMtzqQRhsvn7AvhcQ**server.ccl.net> X-Original-From: "Joseph M Leonard" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 14 Feb 2007 14:20:20 -0500 MIME-Version: 1.0 Sent to CCL by: "Joseph M Leonard" [jleonard42!^!gmail.com] Folks, I wanted to let people that the email addresses associated with me were changing. As one of these (jle_+_theworld.com) have been used for roughly 17 years, I also wanted to leave something searchable so that the change might be found in the future when somebody's trying to find me and has hits from years-ago CCL posts... I have been associated with two emails for the last several years: joseph.leonard_+_abbott.com (this is now invalid) jle_+_theworld.com (this is active, but has been quite buggy) For contacts, please use jleonard42_+_gmail.com which is what I am transitioning to. Thanks to all I have corresponded with over the years! Joe Leonard jleonard42_+_gmail.com From owner-chemistry@ccl.net Wed Feb 14 21:54:00 2007 From: "neeraj misra misraneeraj{}gmail.com" To: CCL Subject: CCL: frequency Message-Id: <-33608-070214215303-28187-EZ5U/cveIlJJ9rDd8hYqHQ_._server.ccl.net> X-Original-From: "neeraj misra" Date: Wed, 14 Feb 2007 21:52:59 -0500 Sent to CCL by: "neeraj misra" [misraneeraj ~ gmail.com] I am getting a C-N stretching vibration at 2602cm-1(unscaled HF) and at 2347cm-1(unscaled B3LYP) in a substituted benzonitrile molecule,is that very strange???? please comment. thanks in advance From owner-chemistry@ccl.net Wed Feb 14 23:50:01 2007 From: "LI Daobing lidaobing||gmail.com" To: CCL Subject: CCL: C Programming question Message-Id: <-33609-070214234641-26806-cIJXanajna8XTEPZRTYTjQ(-)server.ccl.net> X-Original-From: "LI Daobing" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Thu, 15 Feb 2007 11:48:15 +0800 MIME-Version: 1.0 Sent to CCL by: "LI Daobing" [lidaobing^-^gmail.com] On 2/15/07, Joseph M Leonard jleonard42[]gmail.com wrote: > > Sent to CCL by: "Joseph M Leonard" [jleonard42=gmail.com] > I assume there are people reading CCL that are more > into the nuances of C than I have been. I've got a question > for these folks... > > Is there a function similar to sizeof(var) that returns the type > rather than the byte-size of the specified variable? I'm aware > of the stdarg stuff that lets me check whether an argument is > a particular type, but I'd like to be able to do something like > > #define func(x) func_fn(x,type(x)) > > where the daughter routine knows what type of variable has > been passed in. I've been doing a bit of googling using various > phrases, and nothing obvious has come back... > Hello, 1. use union and type_id struct S { int type_id; union { type_1 a; type_2 b; }; }; void func(S s) { if(s.type_id == 1) { // process s.a } else if(s.type_id == 2) { // process s.b } } 2. use C++ -- LI Daobing