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@@ -50,14 +50,44 @@ Following the `DSSP` convention, **BioJava** defines 8 types of secondary struct
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S = bend
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_ = loop (any other type)
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## Prediction of SS in BioJava
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## Parsing Secondary Structure in BioJava
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Currently there exist two alternatives to parse the secondary structure in **BioJava**: either from the PDB/mmCIF
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files of deposited structures (author assignment) or from the output file of a DSSP prediction. Both file types
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can be obtained from the PDB serevers, if available, so they can be automatically fetched by BioJava.
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Note that the DSSP prediction output is more detailed and complete than the authors assignment.
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The choice of one or the other will depend on the use case.
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Below you can find some examples of how to parse and assign the SS of a `Structure`:
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```java
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FileParsingParameters params = new FileParsingParameters();
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params.setParseSecStruc(true);
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AtomCache cache = new AtomCache();
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cache.setFileParsingParams(params);
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cache.setUseMmCif(false);
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Structure s = cache.getStructure("5pti");
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```
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For more examples search in the **demo** package for `DemoLoadSecStruc` and `DemoParseSecStruc`.
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## Prediction of Secondary Structure in BioJava
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### Algorithm
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The algorithm implemented in BioJava for the prediction of SS is `DSSP`. It is described in the paper from
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[Kabsch W. & Sander C. in 1983](http://onlinelibrary.wiley.com/doi/10.1002/bip.360221211/abstract)
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[![pubmed](http://img.shields.io/badge/in-pubmed-blue.svg?style=flat)](http://www.ncbi.nlm.nih.gov/pubmed/6667333).
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```java
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GuiWrapper.display(afpChain, ca1, ca2);
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// Or using the biojava-structure-gui module
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StructureAlignmentDisplay.display(afpChain, ca1, ca2);
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```
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### Data Structures
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