de.bioforscher.singa.structure.parser.pdb.structures

Class StructureWriter

java.lang.Object

de.bioforscher.singa.structure.parser.pdb.structures.StructureWriter

public class StructureWriter
extends Object

A class to write Structures objects to PDB format.

Author:

fk

Method Summary

Modifier and Type	Method and Description
static void	writeLeafSubstructureContainer(LeafSubstructureContainer leafSubstructureContainer, Path outputPath) Writes a given LeafSubstructureContainer in PDB format.
static void	writeLeafSubstructures(List<LeafSubstructure<?>> leafSubstructures, Path outputPath) Writes a given list of LeafSubstructures in PDB format.
static void	writeStructure(OakStructure structure, Path outputPath) Writes a Structure in PDB format.
static void	writeToXYZ(AtomContainer atomContainer, Path outputPath)
static void	writeWithConsecutiveNumbering(OakStructure structure, Path outputPath)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Detail

writeLeafSubstructureContainer

public static void writeLeafSubstructureContainer(LeafSubstructureContainer leafSubstructureContainer,
                                                  Path outputPath)
                                           throws IOException

Writes a given LeafSubstructureContainer in PDB format.

Parameters:

leafSubstructureContainer - The LeafSubstructureContainer to be written.

outputPath - The output Path.

Throws:

IOException - If the path cannot be written.

writeLeafSubstructures

public static void writeLeafSubstructures(List<LeafSubstructure<?>> leafSubstructures,
                                          Path outputPath)
                                   throws IOException

Writes a given list of LeafSubstructures in PDB format.

Parameters:

leafSubstructures - The list of LeafSubstructures to be written.

outputPath - The output Path.

Throws:

IOException - If the path cannot be written.

writeStructure

public static void writeStructure(OakStructure structure,
                                  Path outputPath)
                           throws IOException

Writes a Structure in PDB format.

Parameters:

structure - The structure to be written.

outputPath - The output Path.

Throws:

IOException - If the path cannot be written.

writeWithConsecutiveNumbering

public static void writeWithConsecutiveNumbering(OakStructure structure,
                                                 Path outputPath)
                                          throws IOException

Throws:

IOException

writeToXYZ

public static void writeToXYZ(AtomContainer atomContainer,
                              Path outputPath)
                       throws IOException

Throws:

IOException