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PDB module documentation
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gp0 committed Mar 24, 2015
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8 changes: 7 additions & 1 deletion docs/kabsch.md
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Expand Up @@ -24,7 +24,13 @@ julia> kabsch_rmsd(P, Q)

## Exported functions

### `rmsd(A, B)`
<dl class="function">
<dt id="BiomolecularStructures.Kabsch.rmsd">
<tt class="descname">rmsd</tt><big>(</big><em><b>A</b>::Array{Float64,2}</em>, <em><b>B</b>::Array{Float64,2}<big>)</big></em> → Float64<a class="headerlink" href="#BiomolecularStructures.Kabsch.rmsd" title="Permalink to this definition">¶</a></dt>
<dd><p>Calculates the root mean square deviation of two matrices A and B in using the following formula:
![RMSD formula](assets/kabsch/rmsd.png)
</p>
</dd></dl>

Calculates the root mean square deviation of two matrices A and B in using the following formula:

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17 changes: 17 additions & 0 deletions docs/pdb.md
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# PDB Utilities

The PDB module provides utility functions to deal with [PDB (Protein Data Bank)](https://www.wwpdb.org/documentation/file-format) files by thinly wrapping [BioPython's PDB Parser](http://biopython.org/wiki/Main_Page).

## Exported functions

```julia get_structure(filename::String)```

Parses a PDB file and returns a structure PyObject.

```get_chains(structure::PyObject)```

Gets the chains of protein structure from a BioPython PyObject and returns an Array of Array{Float64,2} matrices.

```structure_to_matrix(structure::PyObject)```

Converts a BioPython structure to a Array{Float64,2} matrix.

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