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<p class="MsoNormal"><span lang="EN-US">Hello all,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">I am playing with the Patterson function as calculated by cctbx and I am confused as to how I can extract and manipulate the data.
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">More specifically, miller.patterson_map(…).real_map() returns a one-dimensional array of values. How do I get the corresponding 3D coordinates? I suspect it has to do with the gridding and some kind of fixed order enumeration,
but I haven’t found an example (the peak_search().sites() seems to be relevant, but I would like the whole thing).<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">On a related note – is there a way to debug the python code of cctbx and step into the c++ code? Debugging is my favorite way to figure things out, but with cctbx most interesting things are hidden. I am using Eclipse
+ PyDev now.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thank you!<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Kind regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Dmytro.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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