ProzacR

download from pubmed and calculate score

Mar 17th, 2016
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  1. #!/bin/bash
  2. #download from pubmed and calculate score
  3. #
  4. # VR
  5.  
  6. while read ID; do
  7.     echo $ID
  8.     wget -O /Data/Sergio_NCI-60_similar_to_metabolites_Data/${ID}.sdf https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/${ID}/record/SDF/\?record_type=2d\&response_type\=save\&response_basename=Structure2D_CID_${ID}
  9.     for file in ~/Sergio_metabolitai/C*.mol; do
  10.     echo $file
  11.     keggid=$(echo $file | cut -d / -f 5)
  12.     babel $file /Data/Sergio_NCI-60_similar_to_metabolites_Data/${ID}.sdf -ofpt -xfFP2 > /Data/Sergio_NCI-60_similar_to_metabolites_Data/${ID}_${keggid%.mol}.log
  13.     done
  14. done < unique_book1.csv
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