Hi Ed,
There's two issues here - (1) the CSharp bindings have not had any
work on them for 2.3.0...yet, and (2) you appear to have found a bug
in AddHydrogens.
In relation to (1), I'll try and sort them out in the near future. For
(2), could you attach an example molecule where you see this problem.
- Noel
On 16 November 2010 09:00, ed <eba...@metabolic-explorer.com> wrote:
>
> I have some problems with the csharp bindings.
>
> I didn't see any up to date version of OBDotNet so I tried to build it from
> the source code.
> I am on a windows environment, using visual studio 2008.
> I tweaked the default_build.bat file in the windows-vc2008 folder to be
> able to compile everything on my machine (setting the paths to cmake, eigen,
> swig and the c# compiler). So far so good, I have a valid .Net dll, and the
> openbabel_csharp dll
>
> I tried the basic test example:
>
> OBConversion obconv = new OBConversion();
> obconv.SetInFormat("smi");
> OBMol mol = new OBMol();
> obconv.ReadString(mol, "CCC");
> System.Console.WriteLine(mol.GetMolWt());
>
> I got an error saying that it couldn't find the openbabelcsharp dll so I
> renamed my openbabel_csharp.dll to openbabelcsharp.dll, and this time I had
> an "Access Violation Exception".
> I tried to create a new project using the .cs files used by obdotnet, and
> changing the references to the openbabelcsharp dll in code to
> openbabel_csharp. I still have an "Access Violation Exception"
>
> Are the c# bindings still a work in progress? Did I forgot some options in
> the default_build.bat file ?
>
> Actually I was hoping the new version of OBDotNet would solve an error I
> have on the current version; I am getting an "Access Violation Exception" on
> some molecules when I try myOBMol.AddHydrogens(false, true, pH)
>
> Thanks in advance for your replies
> --
> View this message in context:
> http://forums.openbabel.org/OBDotNet-tp3044429p3044429.html
> Sent from the openbabel-devel mailing list archive at Nabble.com.
>
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Spend less time writing and rewriting code and more time creating great
experiences on the web. Be a part of the beta today
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