On Mar 26, 2012, at 5:21 AM, Andrew Dalke wrote:
> I'll check out the new code tomorrow and let you know how it goes.
I have the code from SVN installed. It seems to work both
stand-alone and in the code that I've been developing.
I'm also looking forward to working again on my substructure
filter optimization code, which needs the same information.
BTW, the Bond.GetSmarts() should also be modified to take the
new parameter.
Thanks, and cheers!
Andrew
[email protected]
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