-
For single atom molecules, the main isomoprhism mehtods of the UIT should not be invoked. Rather simply loop over the target molecule atoms seeing if we can match any atom to the query atom. (This is what the SMARTS query tool does)
2009-11-10 03:28:59 UTC by rajarshi
-
egonw committed revision 15058 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-08 21:30:50 UTC by egonw
-
Since benzene ring template on the panel has only one variant of double bonds' placement, it's difficult to draw some aromatic compounds with condensed cycles. For example, try draw phenanthrene with angle ring on the right side. In such situation, double bonds must be rearranged. Simplest solution is to add another benzene template, but it will look strange.
2009-11-08 15:19:37 UTC by annulen
-
egonw committed revision 15057 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-08 14:19:16 UTC by egonw
-
egonw committed revision 15056 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-07 23:19:50 UTC by egonw
-
egonw committed revision 15055 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-07 23:18:32 UTC by egonw
-
egonw committed revision 15054 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-07 23:08:26 UTC by egonw
-
egonw committed revision 15053 to the The Chemistry Development Kit SVN repository, changing 2 files.
2009-11-07 23:00:11 UTC by egonw
-
egonw committed revision 15052 to the The Chemistry Development Kit SVN repository, changing 1 files.
2009-11-07 22:50:36 UTC by egonw
-
egonw committed revision 15051 to the The Chemistry Development Kit SVN repository, changing 11 files.
2009-11-07 22:24:39 UTC by egonw
