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. Here is a PDF file (http://cci.lbl.gov/~afonine/tmp/grow_density.pdf) 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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Molecular Structural Biology
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