Paul,
Thanks for the clarification and suggestions. Is refine-zone with
(set-matrix 0) a reasonable substitute for regularize-zone?
Thanks again,
Nasos
Paul Emsley wrote:
> 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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