Changes

From CCP4 wiki
Jump to navigationJump to search
439 bytes added ,  17:30, 20 December 2020
Line 337: Line 337:     
[[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==
1,305

edits

Cookies help us deliver our services. By using our services, you agree to our use of cookies.

Navigation menu