On Aug 21, 2008, at 7:43 AM, [EMAIL PROTECTED] wrote:
> We have 4 million small molecules in pdb format, with many more to
> come.  Check it out.

I think this is great, but I'm curious about the origins of the  
molecules and coordinates. Are you grabbing these from a database? Are  
these run through a computational package to optimize the coordinates  
in any fashion? (It's clear that they've been run through Babel-1.6,  
which isn't truly a FOSS program.)

Just like free software, it's important to know the origins of data.  
If it's derived from a closed database, it's unlikely these can really  
be freely redistributed.


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