Yes, you are correct that compute2DCoords is in the wrapper. I had trouble
finding it since I wasn't sure how to discover what was definitively
exposed. I figured out that you can use the "Object Browser" view in Visual
Studio for this purpose: it works well. For future readers' reference, you
can
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
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
On Mon, Jan 14, 2019 at 9:39 PM Good Eats 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 eith
Thanks Greg.
Starting from your suggestion, I was able to discover the source of the
problem and have submitted a ticket to the issue tracker.
A followup question: the reason I am looking to use RDKit in VB.NET is in
order to call the 2D alignment
function GenerateDepictionMatching2DStructure (pe
Hi,
This is a tough one to help with since I don't know Visual Basic and don't
have a copy installed/available to play with
The .Net package does require some DLLs, but they are all included as part
of the nuget package (at least I see them when I download the package and
look at its contents):
[i
Hi,
I want to use RDKit within a Visual Basic program I have written. A bit of
searching showed that a .NET wrapper for RDKit is available through the
VisualBasic NuGet package manager. I was able to use NuGet to add the
RDKit2DotNet package to my project. In the code I add the following and get
a
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