Creates a UnityMolStructure object from a local XYZ file Records several molecules in different models More...

Inheritance diagram for UMol.XYZReader:

Public Member Functions
	XYZReader (string fileName="")

Public Member Functions inherited from UMol.Reader
	Reader ()

	Reader (string fileName)

void	updateFileNames ()

UnityMolStructure	Read (bool readHet=true, bool readWater=true)
	Reads a file from local HDD and parses the data More...

Static Public Member Functions
static string	Write (UnityMolSelection select, string structName="")
	XYZ writer Uses a selection Uses the molecule name of the first atom More...

static string	Write (UnityMolStructure structure)

Static Public Member Functions inherited from UMol.Reader
static void	identifyStructureMolecularType (UnityMolStructure s)
	Fills the structureType field in the UnityMolStructure class based on atom names More...

static Reader	GuessReaderFrom (string filename, string format="")

Static Public Attributes
static string []	XYZextensions = {"xyz"}

Static Public Attributes inherited from UMol.Reader
static int	limitBigMolecule = 5000

Protected Member Functions
override UnityMolStructure	ReadData (StreamReader sr, bool readHET, bool readWater, bool simplyParse=false)

Additional Inherited Members
Static Protected Member Functions inherited from UMol.Reader
static void	FillSecondaryStructure (UnityMolStructure structure, List< secStruct > secStructsList)

static void	CreateColliders (UnityMolSelection sel)
	Creates sphere collider for each atom of the current model of the structure More...

static bool	QuickStartWith (string full, string comp)
	Check if the string full contains at the begining, the string comp More...

static string	findNewAtomName (HashSet< string > residueAtoms, string name)

Protected Attributes inherited from UMol.Reader
string	fileName

string	fileNameWithoutExtension

Detailed Description

Creates a UnityMolStructure object from a local XYZ file Records several molecules in different models

Constructor & Destructor Documentation

UMol.XYZReader.XYZReader ( string fileName = "" )

override UnityMolStructure UMol.XYZReader.ReadData	(	StreamReader	sr,
		bool	readHET,
		bool	readWater,
		bool	simplyParse = `false`
	)

protectedvirtual

Implements UMol.Reader.

static string UMol.XYZReader.Write	(	UnityMolSelection	select,
		string	structName = `""`
	)

static

XYZ writer Uses a selection Uses the molecule name of the first atom

static string UMol.XYZReader.Write ( UnityMolStructure structure )

static

string [] UMol.XYZReader.XYZextensions = {"xyz"}

static

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