[Open Babel] OBForceField in Python

[Rajarshi G. <rg...@in...>]

Hi, I'm using the openbabel Python module to get at the OBForceField  
stuff.

However, if I do:

ff = OBForceField()

it says that there is no constructor defined. However looking at the  
Pybel sources I thought that something on the lines of

ff = OBForceField( OBForceField.FindType('MMFF94')

would work. But now it says the constructor will take exactly 1  
argument.

I'm a little confused as to how one should use the force field  
methods from Python and any pointers would be appreciated.

-------------------------------------------------------------------
Rajarshi Guha  <rg...@in...>
GPG Fingerprint: D070 5427 CC5B 7938 929C  DD13 66A1 922C 51E7 9E84
-------------------------------------------------------------------
Gods are fragile things; they may be killed by a whiff of
science or a dose of common sense.
         -- Chapman Cohen