tag:blogger.com,1999:blog-8942442068905528713.post2443394801388073203..comments2011-11-17T09:16:01.660+01:00Comments on alchemoinformatics: MolPaintMatteo Florishttp://www.blogger.com/profile/13177555699430611910noreply@blogger.comBlogger3125tag:blogger.com,1999:blog-8942442068905528713.post-32890405039485037872010-04-05T01:31:07.110+02:002010-04-05T01:31:07.110+02:00Hi Dimitry, sorry for the late. You can now surrou...Hi Dimitry, sorry for the late. You can now surround these types of input by quotes. best regards<br /><br />GianfrancoSiringãohttps://www.blogger.com/profile/16212626492231766949noreply@blogger.comtag:blogger.com,1999:blog-8942442068905528713.post-14396604525656217442010-02-24T23:59:39.082+01:002010-02-24T23:59:39.082+01:00Thanks Dmitry for your suggestion, we'll try t...Thanks Dmitry for your suggestion, we'll try to solve this bug! Thanks again!Matteo Florishttps://www.blogger.com/profile/13177555699430611910noreply@blogger.comtag:blogger.com,1999:blog-8942442068905528713.post-43548395708041697862010-02-24T18:22:44.390+01:002010-02-24T18:22:44.390+01:00Hello Matteo,
Thank you very much for promoting D...Hello Matteo,<br /><br />Thank you very much for promoting Dingo and basing your web tool on it.<br /><br />I noticed that you treat space-separated SMILES as multiple SMILES; this can lead to errors in case of SMILES that indeed contain a space, like the following with a radical:<br /><br />C |^1:0|<br /><br />or stereo-groups:<br /><br />C[C@H](O)[C@H](C)[C@@H](C)[C@H](C)Cl |o1:1,3,&1:5,7|<br /><br /><br />With best regards,<br /><br />DmitryDmitry Pavlovhttps://www.blogger.com/profile/12791312222534971872noreply@blogger.com