• Stars
    star
    14
  • Rank 1,432,123 (Top 29 %)
  • Language
    Python
  • License
    MIT License
  • Created over 3 years ago
  • Updated about 2 years ago

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Repository Details

A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .