compute2DCoords is definitely in the wrapper, check to see if you have the case wrong.
I will make sure generateDepictionMatching2DStructure ends up in the wrappers for the next version. Here's the issue: https://github.com/rdkit/rdkit/issues/2239 Once the issue is resolved, you can take a look at the code to see how that is done. -greg On Sun, Jan 20, 2019 at 11:08 PM Good Eats <goodeat...@gmail.com> wrote: > 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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