Phenix: Difference between revisions

195 bytes added ,  18 January 2015
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  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.
Useful to prepare a model for Molecular Replacement:
phenix.pdbtools convert_to_isotropic=true keep="not (altloc B or element H or hetero)"  occupancies.set=1 stop_for_unknowns=false model.pdb


=== phenix.pdb_interpretation - PDB bonds, distances, dihedrals, ... ===
=== phenix.pdb_interpretation - PDB bonds, distances, dihedrals, ... ===
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