Tuesday, 16 October 2012

Pretty pictures of conformers

For most of this afternoon, Roger has been explaining to me how the byte-code compiler in Open Babel's protein perception works (he wrote it). Well, first of all he had to explain why there was a byte-code compiler in there. No, that's not true - actually first he had to explain what a byte-code compiler was.

Now I need some quiet time while it all sinks in.

So here are some pretty pictures of Confab-generated conformers courtesy of Jean-Paul Ebejer of InhibOx which were generated for his recent paper comparing conformer generators (see also here).

JP was also kind enough to provide the PyMOL scripts used to generate these if anyone wants to do so themselves: [cartoon] [raytraced].

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