Re: [phenixbb] refinement with alternative molecules?

Hi Su-Chang,

I've done the refinement with alt. conf.. The occupancy is 0.58 for Mol A, 0.42 for Mol B. The maps look OK. R-factors drops a little bit.

Before when I put Mol A in that region for refinement, I saw additional densities (a helix) for Mol B. When I put Mol B in the region for refinement, I saw additional densities (loops) for Mol A. Now with alt. conf. there are no additional densities.

Interesting. I'll keep this in mind for future work on the NCS code (it was developed before I had a good grip on alt. confs.)

Can I use the occupancies for publication?

Seems all right to me. I'm guessing referees may ask for R-factors without alt. conf. but using NCS. Ralf