From: Rajarshi G. <rg...@in...> - 2007-09-29 13:10:23
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On Sep 29, 2007, at 8:22 AM, Christoph Steinbeck wrote: > Rajashi, > > this is *extremely* helpful for future development. > Thanks a lot! > What I would be interested in is: How long did it take to run the test > (on what machine)? 50,000 molecules runs in under a minute > It would be great to get this running as a "nightly" and seeing the > types of atoms which fail flagged up in color in 2D diagrams. Hmmm, that would be nice. Can you put in a feature request for this - I won't be able to get to it right now, but it's something nice to have ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Brain fried -- Core dumped |