Phenix: Difference between revisions

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96 bytes removed ,  27 October 2011
m (→‎Atom selection: add example)
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=== [http://www.phenix-online.org/documentation/pdbtools.htm phenix.pbdtools] - PDB model manipulations and statistics ===
=== [http://www.phenix-online.org/documentation/pdbtools.htm phenix.pbdtools] - PDB model manipulations and statistics ===
e.g.  
e.g.  
  phenix.pdbtools your_model.pdb --show-adp-statistics
  phenix.pdbtools your_model.pdb model_statistics=True
will show you complete statistics about B-factors;
will show you complete statistics about B-factors and stereochemistry,
phenix.pbdtools your_model.pdb --show-geometry-statistics
will show you complete statistics about stereochemistry,
  phenix.pbdtools your_model.pdb set_b_iso=25.3 selection="chain A and resname ALA and name CA"  
  phenix.pbdtools your_model.pdb set_b_iso=25.3 selection="chain A and resname ALA and name CA"  
will set all B=25 for all CA atoms in all ALA residues of chain A.
will set all B=25 for all CA atoms in all ALA residues of chain A.
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