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Phenix: Difference between revisions
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→phenix.pbdtools - PDB model manipulations and statistics
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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, ... === | ||