Okay Thanks Greg. After more digging, I can confirm that GenerateDepictionMatching2DStructure is not included in the C#/Java wrapper. In addition, the Compute2DCoords function (upon which GenerateDepictionMatching2DStructure is built) is also not exposed in the wrapper. Can anyone point me to an example of how I can rebuild the wrapper with these extra functions included?
Thank you. On Tue, Jan 15, 2019 at 9:56 AM Greg Landrum <greg.land...@gmail.com> wrote: > > On Mon, Jan 14, 2019 at 9:39 PM Good Eats <goodeat...@gmail.com> wrote: > >> >> A followup question: the reason I am looking to use RDKit in VB.NET is >> in order to call the 2D alignment >> function GenerateDepictionMatching2DStructure (perhaps AlignMolToTemplate2D >> might also work here). However, I'm not certain that either of these >> functions are exposed through the C# wrapper as I do not see them in the >> available functions in RDKFuncs.dll. Is there a definitive way to tell what >> subset of the RDKit is exposed in the RDKit2DotNet C# wrapper? >> > > Unfortunately not; this would be convenient from both the C# and Java > sides but does not currently exist (and I don't know how to create it). > > -greg > > >
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