UnityMol  1.0.25beta
Public Member Functions | Static Public Member Functions | Static Public Attributes | Protected Member Functions | List of all members
UMol.MOL2Reader Class Reference

Creates a UnityMolStructure object from a local Mol2 file Format file described here http://chemyang.ccnu.edu.cn/ccb/server/AIMMS/mol2.pdf More...

Inheritance diagram for UMol.MOL2Reader:
UMol.Reader

Public Member Functions

 MOL2Reader (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="")
 Mol2 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 [] MOL2extensions = {"mol2"}
 
- 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 Mol2 file Format file described here http://chemyang.ccnu.edu.cn/ccb/server/AIMMS/mol2.pdf

Constructor & Destructor Documentation

◆ MOL2Reader()

UMol.MOL2Reader.MOL2Reader ( string  fileName = "")

Member Function Documentation

◆ ReadData()

override UnityMolStructure UMol.MOL2Reader.ReadData ( StreamReader  sr,
bool  readHET,
bool  readWater,
bool  simplyParse = false 
)
protectedvirtual

Implements UMol.Reader.

◆ Write() [1/2]

static string UMol.MOL2Reader.Write ( UnityMolSelection  select,
string  structName = "" 
)
static

Mol2 writer Uses a selection Uses the molecule name of the first atom

◆ Write() [2/2]

static string UMol.MOL2Reader.Write ( UnityMolStructure  structure)
static

Member Data Documentation

◆ MOL2extensions

string [] UMol.MOL2Reader.MOL2extensions = {"mol2"}
static
The documentation for this class was generated from the following file: