(sorry for the delay -- the images were over the byte limit for the list)
I just meant that I think the flexible fit algorithm in Jmol just uses the
carbon atoms, not the rest of the atoms, so it is quite possible that a C-O
bond will be rotated. Did you try minimizing?
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
