Rosetta 3.4
Classes | Public Member Functions
core::io::raw_data::DisulfideFile Class Reference

Parses and stores a disulfide file. More...

#include <DisulfideFile.hh>

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List of all members.

Classes

struct  ResNum
 represents a residue of either pdb or rosetta numbering.

Public Member Functions

 DisulfideFile (std::string filename)
std::string const & filename () const
 Accessor for the filename.
void disulfides (utility::vector1< std::pair< core::Size, core::Size > > &disulfides) const
 Get a list of disulfide bonds declared in the file.
void disulfides (utility::vector1< std::pair< core::Size, core::Size > > &disulfides, core::pose::Pose const &pose) const
 Get a list of disulfide bonds declared in the file (renumbered to rosetta numbering if necessary)

Detailed Description

Parses and stores a disulfide file.

Initiallizing a DisulfideFile is a lightweight operation. The heavy lifting occurs the first time disulfides() is called. This parses the file and caches the resulting pairs of residues. Subsequent calls to disulfides() are fast since they don't reparse the file but merely reinterpret the results in terms of the specified.

File Format

The disulfide file format is pretty flexible. It looks for three kinds of lines:

All lines not matching these criteria are silently ignored. This implies that whole pdb files can usually be used unaltered as disulfide files, since the SSBOND entries are extracted and all else is ignored.


Constructor & Destructor Documentation

core::io::raw_data::DisulfideFile::DisulfideFile ( std::string  filename) [inline]

Member Function Documentation

void core::io::raw_data::DisulfideFile::disulfides ( utility::vector1< std::pair< core::Size, core::Size > > &  disulfides) const
void core::io::raw_data::DisulfideFile::disulfides ( utility::vector1< std::pair< core::Size, core::Size > > &  disulfides,
core::pose::Pose const &  pose 
) const

Get a list of disulfide bonds declared in the file (renumbered to rosetta numbering if necessary)

std::string const& core::io::raw_data::DisulfideFile::filename ( ) const [inline]

Accessor for the filename.


The documentation for this class was generated from the following files:
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