On Wed, 2007-06-13 at 14:35 -0500, Athanasios Dousis wrote:
> Paul et al,
>
> My apologies for bombarding the mailing list with questions this past
> week, and thanks much for your help so far. Two new questions:
>
> 1. I found the function regularize_zone(...) in c-interface.h, but when
> I try to run (regularize-zone ...) in Coot, I get an "unbound variable"
> error. What is the correct function call for regularize-zone, and is
> (refine-zone ...) with (set-matrix 0) equivalent?
I try to keep the documentation in synchronisation to the source code -
which means that documentation appears for pre-release functions (which
is what is happening here). If I was super-diligent about
documentation, I'd maintain documentation for each release separately
(but as you can see, I am not and I don't).
> 2. How do I access the data from the residue density fit validation
> graph, e.g. so that I can use it in a script to automatically target
> specific zones for real-space refinement?
There is a separate (command-line) program called
density-score-by-residue. It should be pretty easy to parse the output.
For extra fun, you could write the parser in Coot's scripting language.
Paul.
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