Re: [Open Babel] {Spam?} Re: Problem assigning Partial Charges with OBChargeModel

[Geoffrey H. <geo...@gm...>]

> if (mmffCharges && mmffCharges->ComputeCharges(mol)) {


Practical Real-Life Debugging experience says "check each part of this && statement" and see which one of them is failing.

So? Which one? Is the mmffCharges object not created? Or can it not compute charges?

If it's not created, I'd make sure that you've created an OBConversion object somewhere. In older versions, all plugins (including charges and force fields) are loaded on creating an OBConversion object, but not before.

Hope that helps,
-Geoff