Commit 9123db70 authored by Matthew Tam's avatar Matthew Tam
Browse files

added some comments for the DRprotein demo

parent adb762dc
......@@ -91,10 +91,31 @@ pp.show()
at the python prompt.
7'. Did several graphics windows appear with lots of graphs and pictures?
Congratulations, you've just taken your second step into a larger world!
Congratulations, you've just taken your second step into a larger world!
Ptyriffic isn't it? Ok, let's take a look at one final example... But first
don't forget to type
Now, to see that you've understood everything, debug Ziehe's code, because
the pictures show that it is not working properly.
exit()
1''. For this example, we already done the hard work for you. This time we'll
run the ProxToolbox from using a "DRprotein_demo.py" script. You can peek inside it
by openning it by your favourite editor, or even simpler type
cat DRprotein_demo.py
See how its got all the algorithmic parameters already in the file. Pretty neat huh?
2''. Ok. Time to run the script! It going to take a bit longer... actually a lot longer
than the first two examples (hours maybe). We can work on speeding it up later. Type
python3 DRprotein_demo.py
You should see some (boring) information about the problem instance, etc. While the algorithm
is running you a report of its progress even 10 iterations, and will stop when the relative
error drops below 10e-5.
If you waited long enough "Jmol", a molecular viewer written in Java (which you should already
have installed) will open. Hopefully it looks like a molecule.
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