On 10/08/2013 12:42 PM, Noel O'Boyle wrote: > The 2D depiction stuff needs to be sped up. It can be sped up to any > arbitary speed by sacrificing exhaustive layout for speed. I keep > meaning to get back to this. There are a lot of clever ways this might > be done.
Could that be applied to inchi & smiles? It's an interesting exercise, but I'd say if you're a user in need of an actual picture with more than 2-3 dozen atoms, use pymol. (Disclaimer: I'm programmer, not a chemist) -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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