On May 26, 2010, at 11:01 AM, Konstantin Tokarev wrote:

> Maybe it's reasonable to make all bonds with unknown hybridizations of
> atoms potentially rotable?

Sorry for the delay, I've been drowning in other work. I looked at the code 
this morning, but it will only reject atoms with hybridization of 1. Could you 
check the atom hybridizations?

>     return(_bgn->GetHvyValence() > 1 && _end->GetHvyValence() > 1 &&
>            _order == 1 && !IsInRing() && _bgn->GetHyb() != 1 &&
>            _end->GetHyb() != 1);

I guess the only question is whether the Se has more than one heavy atom 
connected to it?

Thanks,
-Geoff
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