Hi, I don't really understand why you would like to compose the sdfile yourself, but you could very well use openbabel itself to get some examples. Just run the command "obabel -ismi -:c1ccccc1O -osdf" and you Will get an example file. To answer the questions more specificly, for blank lines, \n will do great, xxxxx.xxxx means that 0.0000 should be prefixed with four spaces. Regarding line endings I can't remember how it's handled, but \n should always work.
Kind regards, Fredrik Skickat från min iPhone 9 sep 2013 kl. 12:26 skrev Altyr <edis...@hotmail.fr>: > Hi, > > I'm trying to write a .sdf file in order to use it with obabel. > I read the ctfiles book from accelrys but i don't find the answer. > > For a blank line what should i put ? "\n" ? > > The same for the ctab, we have something like that > xxxxx.xxxxyyyyy.yyyyzzzzz.zzzz. > If i write 0.0000 for xxxxx.xxxx, what should i put for the first X wich are > not provided ? A space ? a specific input ? > > My last question is the same but for the end of a line. > > Thank you in advance for the answers > > > > -- > View this message in context: > http://forums.openbabel.org/Write-a-sdf-file-tp4656603.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Learn the latest--Visual Studio 2012, SharePoint 2013, SQL 2012, more! > Discover the easy way to master current and previous Microsoft technologies > and advance your career. Get an incredible 1,500+ hours of step-by-step > tutorial videos with LearnDevNow. Subscribe today and save! > http://pubads.g.doubleclick.net/gampad/clk?id=58041391&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Learn the latest--Visual Studio 2012, SharePoint 2013, SQL 2012, more! Discover the easy way to master current and previous Microsoft technologies and advance your career. Get an incredible 1,500+ hours of step-by-step tutorial videos with LearnDevNow. Subscribe today and save! http://pubads.g.doubleclick.net/gampad/clk?id=58041391&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
