Re: [Open Babel] -get3d option in mol

I have no idea if ChemSpider supports arbitrary options to Open Babel. There's a ChemSpider support page: http://www.chemspider.com/OpenBabel.asmx > It gets a smiles from chemspider and then asks OpenBabel to convert it to a > mol file. The problem is there are no 3D coordinates. I know that I h

Re: [Open Babel] OpenBabel compilation fails

It seems as if some of the wxWidgets install is causing problems. I suggest re-running cmake and adding -DBUILD_GUI=FALSE Hope that helps, -Geoff On Dec 26, 2012, at 3:35 PM, Vera Stehr wrote: > Hello, > > I just tried to compile OpenBabel 2.3.2 today, but it fails with the > following error

[Open Babel] OpenBabel compilation fails

Hello, I just tried to compile OpenBabel 2.3.2 today, but it fails with the following error message: [ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.o /home/xxx/openbabel-2.3.2/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnClickPlugin(wxCommandEvent&)’: /home/xxx/openba

[Open Babel] -get3d option in mol

I am trying to modify a script that someone else wrote. It gets a smiles from chemspider and then asks OpenBabel to convert it to a mol file. The problem is there are no 3D coordinates. I know that I have to add the option -get3d, but I am not sure where to insert it in the second line of code.