Additional file 1.

Cyclopamine 3-D. Cyclopamine depicted as a ball-and-stick image with perspective. The energy-minimized structure of cyclopamine (energy-minimized using the MMX force-field [PCModel, version 9.2; Serena Software, Bloomington, IN]) is shown after visual rendering with POV-Ray 3.6 for Mac OS (Build 197, Copyright^© 1991–2003 Persistence of Vision Team™, Copyright^© 2003–2004 Persistence of Vision Raytracer Pty. Ltd.; http://www.povray.org/). The input file for POV-Ray was generated by PCModel commands. The energy-minimized structure was confirmed with the global conformation searching utility in PCModel (GMMX), using random variation of the structure to generate candidate structures that were then minimized and compared to previously determined low-energy structures.

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Oatis et al. Chemistry Central Journal 2008 2:12   doi:10.1186/1752-153X-2-12