Coot: Difference between revisions

439 bytes added ,  20 December 2020
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[[ensemble_plugin.py]]
[[ensemble_plugin.py]]
===Example 6: some basic scripting===
Q: I want to prepare scripts to run coot functions like water picking or rotamer fitting  in command line. Therefore I am looking for some  examples of simple coot scripts, e.g. load  ref.pdb, load ref.mtz, fft create map.
Answer:
<pre>
imol = read_pdb("6vw1.pdb")
imol_map = make_and_draw_map("6vw1/6vw1_refine.mtz", "2FOFCWT", "PH2FOFCWT", "", 0, 0)
find_waters(imol_map, imol, 0, 1.4, 1)
</pre>


==Python to Scheme and return==
==Python to Scheme and return==
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