Category talk:Developer

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Hello, everyone. I'm Li, a Chinese student, I've just came here, nice to see you all.

I'm doing some reserch on the chemical structrue database, and one part of it is the structure/substructure search.

During my research, I've found the OpenBabel, which is very useful in my work.

The file formats I'm using are MDL's mol and sdf. I use the Visual Studio .NET 2003 enterprise edition, and the language is C++.

So, my question is:

1 Could I use Openbabel freely?

2 How could I use it in my project? I mean, firstly, I want to use it to percept all the aromatic rings in the sd-file, and mark all the arimatic bonds' property with '4' (the original property is either '1' or '2' in the file); then, I want to delete all the hydrogens in the file; finally, I want to store the mol-files in a database, I would like to use the ADO.NET method, is that OK?

3 During the structure/substructure searching process, I also want solve the aromatic ring perception and H removal problem, I've had a C++ project writen by myself, how could I use yours in mine?

Thank you very much for your attention and help. And forgive my poor English.


No problem. this has been answered on the mailing list (the best place for such discussion).

Ghutchis