Hi Nina, Thanks for you reply. Sorry for some delay with the answer...
Thank you for nice demo of rendering the molecule set. From the link to maillist I've found the class that does the job: > https://ambit.svn.sourceforge.net/svnroot/ambit/trunk/ambit2-all/ambit2-jchempaint/src/main/java/ambit2/jchempaint/CompoundImageTools.java and also nice work is presented here: http://gilleain.blogspot.com/2010/09/molecule-layouts.html https://sourceforge.net/mailarchive/message.php?msg_id=26495170 Are there any plans to contribute any "layouting" code to jchempaint? If not, maybe I can re-use the maven module, that contains CompoundImageTools / GridMoleculeSetLayout class? I have also run the following related issue. When trying to render the molecule like below: InChI=1/H2/h1H InChI=1/H2N/h1H2/q-1 chemicalMoleculeRenderer.paint() returns the rectangular with zero height and width. Is there any "correct" way to render "simple" molecules like that? The relative message is: https://sourceforge.net/mailarchive/message.php?msg_id=27010062 Thanks! On 02.06.2011 7:22, Nina Jeliazkova wrote: > On 2 June 2011 01:38, Dmitry Katsubo <[email protected]> wrote: >> I definitely missed that, but perhaps I've joined just shortly >> afterwards or it was in jcpempaint maillist (which I need to be >> subscribed too): >> > https://sourceforge.net/mailarchive/forum.php?thread_name=4d8097d191b34_300c11a312c6527%40zx81.mail&forum_name=cdk-jchempaint > http://apps.ideaconsult.net:8080/ambit2/depict?search=CCC.CCC.CCCCCCCC.CCCCCC > >> Looks great. Is the source open? > > Yes, it's quite old project ( ambit.sourceforge.net ) and there is a recent > paper > http://www.jcheminf.com/content/3/1/18 > >> Perhaps you can point me directly to the message you refer: if it >> contains the implementation hints, I will start from that. > > Several messages here, where I was struggling with the same problem. > > http://sourceforge.net/mailarchive/forum.php?forum_name=cdk-devel&max_rows=25&style=ultimate&viewmonth=201010&viewday=26 > > Best regards, > Nina -- With best regards, Dmitry ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
