#include <PExtension.h>
Static Public Member Functions | |
static PProtein * | readFromFile (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) |
Friends | |
class | CS2IO |
Classes | |
struct | pdbAtomLine |
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.
friend class CS2IO [friend] |