PDBIO Class Reference

#include <PExtension.h>

List of all members.

Detailed Description

Contains methods to read PChains from a PDB file and write them back out in PDB format. See the PDB homepage for more information.

Static Public Member Functions

static PProteinreadFromFile (const string &fileName)
static void writeToFile (PChain *chain, const string &fileName, const string &prefix="")
static bool isCyclicPDB (const string &fileName)
static vector< string > getAllAtomLines (const vector< string > &pdbLines)
static pdbAtomLine parseAtomLine (const string &line)


class CS2IO


struct  pdbAtomLine

Member Function Documentation

PProtein * PDBIO::readFromFile ( const string &  fileName  )  [static]

Reads the specified PDB file and returns the contents as a PProtein pointer, or NULL if an I/O error is encountered.

void PDBIO::writeToFile ( PChain chain,
const string &  fileName,
const string &  prefix = "" 
) [static]

Writes the specified PChain chain to a file named fileName, using the standard PDB format. Optionally, a prefix may be appended to each line of output.

bool PDBIO::isCyclicPDB ( const string &  fileName  )  [static]

Returns true if the PDB file specified by fileName appears to represent a cyclic protein, false otherwise.

vector< string > PDBIO::getAllAtomLines ( const vector< string > &  pdbLines  )  [static]

Returns a vector containing all the lines in pdbLines that begin with "ATOM " or "HETATM", up to the "TER" terminating line (if one is present).

PDBIO::pdbAtomLine PDBIO::parseAtomLine ( const string &  line  )  [static]

Returns a pdbAtomLine structure containing data from the specified line in a PDB file.

Friends And Related Function Documentation

friend class CS2IO [friend]

The documentation for this class was generated from the following files:
Generated on Wed May 16 20:22:13 2007 for LoopTK: Protein Loop Kinematic Toolkit by  doxygen 1.5.1