Re: [openbabel-scripting] SD files data

[Geoffrey H. <ge...@ge...>]

On Apr 24, 2006, at 10:36 AM, Noel O'Boyle wrote:

> How can I access the data fields in an SD file? Such as...
> ...
> I am guessing that mymol.GetData() should do this, but it doesn't  
> appear
> to.

You're right. It should. But I haven't looked at how the wrapper  
works. Probably...

data = mymol.GetData("Mol weight");   // returns type OBPairData
data.GetValue()                       // returns 1234.567 or whatever

I need to write up some of those tutorials, don't I? Anyone have a  
25th hour?

Cheers,
-Geoff