The Frog code never made it into Open Babel. It was donated very
generously but never used in the end. The reason was that around the
same time, Tim Vandermeersch was becoming a contributor to Open Babel
and independently started writing his own 3D structure builder, which
is now part of OpenBabel ("--gen3d" runs this).Thanks for the encouragement on confab - I'll try to polish it up over the next few weeks, and get out some sort of initial release. - Noel On 7 October 2010 11:01, Jean-Paul Ebejer <jeanpaul.ebe...@inhibox.com> wrote: > Noel, you are actually the right person to ask this (since I saw an > announcement on your blog): What happened to the Frog code (a conformer > generator) which was donated to OpenBabel - is it wrapped in obconformer? > Also are there any plans to integrate Frog2? > I'm interested in getting confab up and running... > > On 7 October 2010 10:57, Noel O'Boyle <baoille...@gmail.com> wrote: >> >> On 7 October 2010 10:19, Jean-Paul Ebejer <jeanpaul.ebe...@inhibox.com> >> wrote: >> > >> > Hi there @OpenBabel, >> > First of all well done for this brilliant piece of (free) software. >> > Secondly I am trying to determine the release date for OpenBabel 2.3 (I >> > have >> > looked in previous posts and on the website, without much success, even >> > if >> > the indication is close to end of summer [2010]). I >> > found http://openbabel.org/wiki/Version_2.3_Projects (which is not the >> > easiest page to fall on) and there are some interesting new additions. >> >> I can't speak for Geoff (Geoff is the release manager and lead >> developer), but my understanding is that no fixed date has been set - >> instead, Open Babel may be released within the next month - the exact >> date is dependent upon the time to takes to fix the final bugs. >> >> > Also, and this is mostly what I need the new version for, will confab be >> > part of this release [2.3]? Also what are the differences between >> > Obconformer and Confab - from what I can see they both generate >> > conformers >> > right? >> >> I can speak for Confab, though. Confab will not be included in 2.3. It >> has some additional dependencies, and a few new classes that didn't >> make it into 2.3, and so requires a separate release, at least for the >> forseeable future. I think obconformer generates just a single low >> energy conformer (though I'm not 100% sure). >> >> > Many Thanks, >> > JP >> > >> > >> > >> > ------------------------------------------------------------------------------ >> > Beautiful is writing same markup. Internet Explorer 9 supports >> > standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. >> > Spend less time writing and rewriting code and more time creating great >> > experiences on the web. Be a part of the beta today. >> > http://p.sf.net/sfu/beautyoftheweb >> > _______________________________________________ >> > OpenBabel-discuss mailing list >> > OpenBabel-discuss@lists.sourceforge.net >> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> > >> > > > > > -- > > Jean-Paul Ebejer > Early Stage Researcher > InhibOx Ltd > Pembroke House > 36-37 Pembroke Street > Oxford > OX1 1BP > UK > (+44 / 0) 1865 262 034 > > > This email and any files transmitted with it are confidential and intended > solely for the use of the individual or entity to whom they are addressed. > Any unauthorised dissemination or copying of this email or its attachments, > and any use or disclosure of any information contained in them, is strictly > prohibited and may be illegal. If you have received this email in error > please notify the sender and delete all copies from your system. > > We and our group companies accept no liability or responsibility for > personal emails or emails unconnected with our business. > > Internet communications including emails and access and use of web sites > cannot be guaranteed to be secure or error free as information can be > intercepted, corrupted, lost or arrive late. Furthermore, while we have > taken steps to control the spread of viruses on our systems, we cannot > guarantee that this email and any files transmitted with it are virus free. > No liability is accepted for any errors, omissions, interceptions, corrupted > mail, lost communications or late delivery arising as a result of receiving > this message via the Internet or for any virus that may be contained in it. > > ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
