[OpenBabel-Devel] Aromatic nitrogens and SMILES parsing

2012-11-22 Thread Tim Vandermeersch
Hi, I'm working on an OBFormat for parsing SMILES using my new Smiley parser. The initial tests look good but there is a specific problem regarding aromatic nitrogens. When I read a molecule using the new format and write out the caonical smiles, all aromatic nitrogens are written out as "[nH]". D

Re: [OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint

2012-11-22 Thread David van der Spoel
On 2012-11-22 10:33, Noel O'Boyle wrote: > I've a problem compiling the Python bindings on trunk with MSVC due to > a recent addition to the codebase: > > 2>openbabel-python.obj : error LNK2019: unresolved external symbol > "__declspec(dllimport) public: __thiscall > OpenBabel::OBFreeGridPoint::OBF

[OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint

2012-11-22 Thread Noel O'Boyle
I've a problem compiling the Python bindings on trunk with MSVC due to a recent addition to the codebase: 2>openbabel-python.obj : error LNK2019: unresolved external symbol "__declspec(dllimport) public: __thiscall OpenBabel::OBFreeGridPoint::OBFreeGridPoint(void)" (__imp_??0OBFreeGridPoint@OpenBa