Package chemaxon.marvin.alignment
Class Pharmacophore3D
java.lang.Object
chemaxon.marvin.alignment.Pharmacophore3D
3D Pharmacophore representation for 3D alignments.
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Field Summary
Modifier and TypeFieldDescriptionstatic final int
static final int
static final int
static final int
static final int
static final int
static final int
static final int
static final int
static final int
static final int
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Constructor Summary
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Method Summary
Modifier and TypeMethodDescriptionstatic Molecule
int[]
static boolean
isAcceptor
(int t) static boolean
isAliphaticRC
(int t) static boolean
isAnchor
(int t) static boolean
isAromatic
(int t) static boolean
isAromaticRC
(int t) static boolean
isDonor
(int t) static boolean
isH
(int t) static boolean
isHydrophobic
(int t) static boolean
isLP
(int t) static boolean
isNegative
(int t) static boolean
isPositive
(int t) static int
labelAsAnchor
(int t) toString()
static String
typeLabel
(int t) static int
withoutType
(int tOrig, int tRemove)
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Field Details
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DONR
public static final int DONR- See Also:
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ACCP
public static final int ACCP- See Also:
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AROMATIC_ATOM
public static final int AROMATIC_ATOM- See Also:
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HYDR
public static final int HYDR- See Also:
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POS
public static final int POS- See Also:
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NEG
public static final int NEG- See Also:
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LP
public static final int LP- See Also:
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H
public static final int H- See Also:
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AROMATIC_RINGCENTER
public static final int AROMATIC_RINGCENTER- See Also:
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ALIPHATIC_RINGCENTER
public static final int ALIPHATIC_RINGCENTER- See Also:
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ANCHOR
public static final int ANCHOR- See Also:
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Constructor Details
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Pharmacophore3D
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Pharmacophore3D
public Pharmacophore3D()
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Method Details
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typeLabel
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getPharmacophore
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isDonor
public static boolean isDonor(int t) -
isAliphaticRC
public static boolean isAliphaticRC(int t) -
isAromaticRC
public static boolean isAromaticRC(int t) -
labelAsAnchor
public static int labelAsAnchor(int t) -
isAnchor
public static boolean isAnchor(int t) -
withoutType
public static int withoutType(int tOrig, int tRemove) -
isAcceptor
public static boolean isAcceptor(int t) -
isAromatic
public static boolean isAromatic(int t) -
isHydrophobic
public static boolean isHydrophobic(int t) -
isPositive
public static boolean isPositive(int t) -
isNegative
public static boolean isNegative(int t) -
isH
public static boolean isH(int t) -
isLP
public static boolean isLP(int t) -
getColors
public int[] getColors() -
create
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toString
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