Remove PDB disordered atoms
(New page: Still under construction Category:Cookbook)
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Revision as of 15:15, 15 July 2009
You have a PDB with disordered atoms, i.e. different atomic positions with occupancies that add up to 100%. From this PDB you want to create a new one having only one set of the disordered atoms. This can be necessary if you want to perform RMSD calculations or Molecular Dynamics simulations.