I've also found that Azides and isocyanates in addition to the
isothiocyanates* also cause this bug.
Cheers Andrew
On Fri, May 18, 2012 at 5:24 PM, Andrew Long <andrew.long.3...@gmail.com>wrote:
> while messing around with isosurfaces I ran into another possible bug.
>
> http://imgur.com/FO8x0
>
> http://imgur.com/GR0tE
>
> I tried just thiocyanate and it seems to work. I've attached the mol2
> files. Where exactly in the code is the isosurfaces calculated?
>
> Cheers Andrew
>
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