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
methylthiocyanate.mol2
Description: Binary data
phenylthiocyanate.mol2
Description: Binary data
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