svn+ssh://bugman@.../svn/relax/trunk
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r27321 | bugman | 2015-01-27 09:48:41 +0100 (Tue, 27 Jan 2015) | 7 lines
Created the Structure.test_pdb_combined_secondary_structure system test.
This is used to demonstrate a problem in the handling of secondary structure metadata when combining
multiple PDB structures. It appears as if the chain ID is preserved as the original ID and is not
updated to match the new IDs in the output PDB.
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r27322 | bugman | 2015-01-27 10:50:56 +0100 (Tue, 27 Jan 2015) | 9 lines
Bug fix for the PDB secondary sheet handling when combining multiple PDB structures.
The helix and sheet metadata now converts the original chain IDs into molecule indices, shifted to
new values based on the currently loaded data, when the structure.read_pdb user function is
executed. When the structure.write_pdb user function is executed, the molecule indices are
converted into new chain IDs. This allows the chain IDs in the HELIX and SHEET records to match
those of the ATOM and HETATOM records.
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r27323 | bugman | 2015-01-27 10:51:34 +0100 (Tue, 27 Jan 2015) | 5 lines
Updated the Structure.test_metadata_xml system test for the changed PDB metadata handling.
The helix and sheets IDs are now molecule indices.
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