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Hi Joern, - as Sacha mentioned (off-list), phenix.grow_density is inspired by Acta Cryst. (1997). D53, 540-543 paper. - sorry for the lack of documentation. This is one of the (10+) (slow) on-going projects that we still need work on in order to make it more automated and user-friendly. Attached is a PDF file that I wrote for Sacha to explain some parameters of phenix.grow_density. It is very sketchy and may not be 100% up-to-date, but I hope it helps. - the error message you get ("Refinement failed... ) is actually a bug - sorry. I am fixing it right now and the fixed version will be available in the next nightly build of PHENIX available in a day of two here: http://www.phenix-online.org/download/nightly_builds.cgi - I recall, defining several spheres where the DA are going to be placed is better than defining one large sphere, although it depends on the region size and shape. For example: sphere { center = 21.698 7.730 33.974 radius = 5 } sphere { center = 23.483 10.877 35.583 radius = 5 } Let me know if you have any questions or need help with this. Pavel. On 8/9/11 1:47 AM, Joern Krausze wrote:
Dear all,
could anybody please provide me with a documentation for phenix.grow_density? I did'nt find one on the Phenix homepage or elsewhere in the depths of the internet.
Thanks in advance,
Joern
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