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running_alphafold_at_scale [2026/03/11 11:42] – [Searching the protein sequence databases] 172.20.54.200running_alphafold_at_scale [2026/03/11 11:51] (current) 172.20.80.5
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 === Preparing AlphaFold3 input query files === === Preparing AlphaFold3 input query files ===
  
-AlphaFold3 is a little awkward with how it wants it input protein sequences formatted. Instead of a simple FASTA file, it requires a JSON file. Thankfully I found a relatively simple way of converting the FASTA into a JSON file using and editing slightly a python script I found online. It is called ''fasta2alphafoldjson.py'' and it is available on the [[https://github.com/RogerLab/gospel_of_andrew|Gospel of Andrew]] GitHub page. Run it simply as follows:+AlphaFold3 is a little awkward with how it wants its input protein sequences formatted. Instead of a simple FASTA file, it requires a JSON file. Thankfully I found a relatively simple way of converting the FASTA into a JSON file using and editing slightly a python script I found online. It is called ''fasta2alphafoldjson.py'' and it is available on the [[https://github.com/RogerLab/gospel_of_andrew|Gospel of Andrew]] GitHub page. Run it simply as follows:
  
 <code> <code>
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 === Submitting AlphaFold as an array job === === Submitting AlphaFold as an array job ===
  
-If you want to run AlphaFold on many proteins, it may be pragmatic to submit these sequence databases searches as an **array job** on Perun. An array-job is a single job, that in turn schedules the submission of many other jobs. Here the idea is to submit a single general "AlphaFold sequence search job" which then schedules and submits all the individual search jobs for each query protein separately.+If you want to run AlphaFold on many proteins, it may be pragmatic to submit these sequence database searches as an **array job** on Perun. An array-job is a single job, that in turn schedules the submission of many other jobs. Here the idea is to submit a single general "AlphaFold sequence search job" which then schedules and submits all the individual search jobs for each query protein separately.
  
 <code> <code>
running_alphafold_at_scale.1773240133.txt.gz · Last modified: by 172.20.54.200