[BetaAmyloid]

So, I have two images of palytoxin, one from wikipedia, one from acdlabs created by me through the program. The question is, is acdlabs correct, since, it is programmed to edit the molecule depending on structure angles/bonds/etc?

<img src=http://img193.imageshack.us/img193/1563/palytoxinwikipedia.png/>
Wikipedia

<img src=http://img4.imageshack.us/img4/8926/palytoxin.gif/>  <img src=http://img12.imageshack.us/img12/3964/palytoxinspacefilled.gif/>
                 Ball and Stick                                       Space Filling
                                                 Acdlabs

Thanks. 

[sjb]

What do you mean by correct? Certainly it looks like the structures are the same (disclaimer, it's first thing in the morning here, and I'm waiting for my tea to brew) but I think I can see motifs like the [3,2,1]-bicyclooctane, the amine, and the various monosaccharide-like residues in all three pictures. If you mean are the ACD-labs figures energy-minimized or indeed biologically relevant conformations, then probably not, IMO.

S

[BetaAmyloid]

If you mean are the ACD-labs figures energy-minimized or indeed biologically relevant conformations, then probably not, IMO.

S

That's what I was wondering.

Thanks.