A B C D E F G H I J L M N P R S T U V W

C

checkConformity(String, int) - Method in class de.modlab.smilib.io.ConformityChecker

Checks conformity of a given SMILES.

close() - Method in class de.modlab.smilib.io.SmilesFileWriter

Closes the SmilesWriter.

close() - Method in class de.modlab.smilib.io.SmilesGuiWriter

Closes the SmilesWriter.

close() - Method in class de.modlab.smilib.io.SmilesLineWriter

Closes the SmilesWriter.

close() - Method in class de.modlab.smilib.io.SmilesListWriter

Closes the SmilesWriter.

close() - Method in class de.modlab.smilib.io.SmilesToSDFWriter

Closes the SmilesWriter.

close() - Method in interface de.modlab.smilib.io.SmilesWriter

Closes the SmilesWriter.

CombinationScheme - Class in de.modlab.smilib.iterator

Administrates information which Linkers/BuildingBlocks shall be used on the variable side chains.

CombinationScheme(int, int) - Constructor for class de.modlab.smilib.iterator.CombinationScheme

Creates a new instance of CombinationScheme

ComponentAdministrator - Class in de.modlab.smilib.fragments

Stores and distributes SMILES of scaffolds, linkers and building blocks.

ComponentAdministrator(String, String, String, boolean) - Constructor for class de.modlab.smilib.fragments.ComponentAdministrator

Creates a new instance of ComponentAdministrator.

ComponentAdministrator(String[], String[], String[], boolean) - Constructor for class de.modlab.smilib.fragments.ComponentAdministrator

Creates a new instance of ComponentAdministrator, used when SMiLib ist started in GUI mode.

concatenate(StringBuilder, char, String) - Method in class de.modlab.smilib.main.SmilesConcatenator

Concatenates linker and building block to an intermediate, using a char to separate them.

concatenate(StringBuilder, StringBuilder, char, String, int) - Method in class de.modlab.smilib.main.SmilesConcatenator

Concatenates an intermediate (linker/building block) to the current scaffold, using a char to separate them.

concatenate(StringBuilder, String, char, String, int) - Method in class de.modlab.smilib.main.SmilesConcatenator

Concatenates a building block to the current scaffold, using a char to separate them.

ConformityChecker - Class in de.modlab.smilib.io

Checks whether source SMILES are SmiLib conform.

ConformityChecker() - Constructor for class de.modlab.smilib.io.ConformityChecker

Creates a new instance of ConformityChecker

ControlPanel - Class in de.modlab.smilib.gui

GUI element for SmiLib GUI that contains control elements.

ControlPanel(SmiLibFrame) - Constructor for class de.modlab.smilib.gui.ControlPanel

Creates new form ControlPanel

copyright - Static variable in class de.modlab.smilib.main.SmiLib

SmiLib copyright

createFragment(String, String) - Method in class de.modlab.smilib.fragments.BuildingBlockFactory

Creates a BuildingBlock.

createFragment(String, String) - Method in interface de.modlab.smilib.fragments.FragmentFactory

Creates a fragment.

createFragment(String, String) - Method in class de.modlab.smilib.fragments.LinkerFactory

Creates a Linker.

createFragment(String, String) - Method in class de.modlab.smilib.fragments.ScaffoldFactory

Creates a Scaffold.