Remove PDB disordered atoms
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| − | + | == Problem == | |
| + | 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. | ||
| + | == Solution == | ||
[[Category:Cookbook]] | [[Category:Cookbook]] | ||
Revision as of 15:15, 15 July 2009
Problem
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.
