[phenixbb] Specifying union of two chains in pdb_atom_selection
Pavel Afonine
pafonine at lbl.gov
Thu Sep 20 15:41:11 PDT 2012
Hi Francis,
in Boolean world that would be "chain X or chain B" (not and!). Try it!
Pavel
On 9/20/12 3:37 PM, Francis E Reyes wrote:
> Hi all,
>
>
> I issue the following command to pdb_atom_selection but I get 0 atoms selected at the end?
>
>
> $ phenix.pdb_atom_selection refine_to_submit.pdb "chain X and chain B"
> refine_to_submit.pdb
> Monomer Library directory:
> "/usr/local/phenix-1.8-1069/chem_data/mon_lib"
> Total number of atoms: 3817
> Number of models: 1
> Model: ""
> Number of chains: 6
> Chain: "B"
> Number of atoms: 1800
> Number of conformers: 1
> Conformer: ""
> Number of residues, atoms: 84, 1800
> Classifications: {'RNA': 84}
> Modifications used: {'rna3p_pyr': 26, 'rna2p_pur': 5, 'rna3p_pur': 44, 'rna2p_pyr': 9}
> Link IDs: {'rna3p': 70, 'rna2p': 13}
> Chain: "X"
> Number of atoms: 1800
> Number of conformers: 1
> Conformer: ""
> Number of residues, atoms: 84, 1800
> Classifications: {'RNA': 84}
> Modifications used: {'rna3p_pyr': 26, 'rna2p_pur': 5, 'rna3p_pur': 44, 'rna2p_pyr': 9}
> Link IDs: {'rna3p': 70, 'rna2p': 13}
>
>
> chain X and chain B
> 0 atoms selected
>
> Thanks!
>
> F
>
>
>
> ---------------------------------------------
> Francis E. Reyes PhD
> 215 UCB
> University of Colorado at Boulder
>
>
>
>
>
>
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