[chimerax-users] alphafold block
Roberto Marabini
roberto.marabini.cnb at gmail.com
Tue Feb 15 05:14:17 PST 2022
Hi,
I would like to write a script that executes
"alphafold predict SEQUENCE"
and then postprocess the results.
The script would be similar to:
from chimerax.core.commands import run
run(session, "alphafold predict %s" % sequence_data)
# wait until alphafold is done
# and postprocess the file best_model.pdb
but I do not know how to implement the part "wait until alphafold is done"
if, after launching alphafold, I create a loop similar to:
===
counter = 0
current_size = _getSize(file_path)
while current_size !=_getSize(file_path) or _getSize(file_path)==0
or not os.path.exists(file_path):
current_size =_getSize(file_path)
time.sleep(60)
counter += 1
if counter > 240: # break after four hours if file is not created
break
====
the loop is executed as soon as the alphafold command has been sent to
google, the alphafold-colab window is not shown until the loop is
finished and therefore, alphafold execution never starts.
So the question is: how can I write a script that waits until the
command "alphafold predict ..." finishes and then executes some code.
Thanks
Roberto
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