Hi OpenBabel’ers, Avogadro’ers,
On Fri, Nov 5, 2010 at 12:09 PM, David Lonie email@example.com wrote:
On Thu, Nov 4, 2010 at 1:52 PM, Louis Ricard
I started testing the Windows installer shortly after David’s message.
I was puzzled by absence of forcefield entries in the extension menu,
I’d noticed this on linux, too. I’ll take a look at it and try to get
a new windows installer out on Monday.
I’ve started to look into why the forcefield extension in Avogadro is
broken on windows and linux, and there is definitely a problem in
openbabel. For instance, the following test code produces the
dl@ez02:/tmp/fftest$ cat t.cpp
using namespace std;
using namespace OpenBabel;
cout << OBForceField::FindForceField(“MMFF94”) << endl;
dl@ez02:/tmp/fftest$ g++ -I/usr/include/openbabel-2.0/ -lopenbabel t.cpp -o t
So it appears that the forcefield lookup is failing. After a digging
through OB’s plugin.* for a while, I’m not any closer to finding a
solution. Do any of the OB devs have an idea what may be going on?
This worked fine up until a few days/weeks ago with OB trunk, so it is
likely a recent change.