Extracting a part of a silent file as another silent file

This topic has 1 reply, 2 voices, and was last updated 3 years, 4 months ago by Anonymous.

Viewing 1 reply thread

Author

Posts
- July 29, 2021 at 6:53 am #3816
  Anonymous
  Dear all,
  
  I generated a silent file as a result of a docking refinement with FlexPepDock. I want to anaylize the top 10% of the solutions (1000 decoys) and cluster them.
  
  First, I extracted the top 10% by sorting the I_sc with:
  
  sort -n -k2 example_score_file.sc | head -n 1000 | awk ‘{print $2 “t” $25 “t” $NF}’ > score_I-sc_tag.dat
  
  Then I used extract_pdbs.linuxgccrelease to extracts all the solutions with the tags, as pdb files.
  
  Now, how can I extract the top 10% solutions from the parent silent file, as a silent file, whitout extracting the single pdb files?
  
  Thanks in advance,
  
  -Yasser
- July 31, 2021 at 3:16 pm #15984
  Anonymous
  Hello Yasser!
  
  in your scorefile, the last column should be ‘description’. This column holds the tags of each structure.
  
  If you collect the tags for all the structures you want to extract, you can use the following script:
  
  Rosetta/tools/analysis/extract_pdbs_from_pdbsilent_by_tags.py
  
  usage: extract_pdbs_from_pdbsilent_by_tags.py silent_file tagsfile
  
  tagsfile is endline-delimited list of tags to extract;
  
  silent_file is a PDB-silent-file
Author

Posts

Viewing 1 reply thread

You must be logged in to reply to this topic.