lucagl/MOAD_ligandFinder

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 .

Language: Python - Size: 47.9 KB - Last synced at: over 1 year ago - Pushed at: almost 3 years ago - Stars: 11 - Forks: 4