Uses of Class
com.actelion.research.chem.phesa.Gaussian3D
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Packages that use Gaussian3D Package Description com.actelion.research.chem.phesa com.actelion.research.chem.phesa.pharmacophore.pp com.actelion.research.chem.phesaflex -
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Uses of Gaussian3D in com.actelion.research.chem.phesa
Subclasses of Gaussian3D in com.actelion.research.chem.phesa Modifier and Type Class Description class
AtomicGaussian
class
VolumeGaussian
Methods in com.actelion.research.chem.phesa with parameters of type Gaussian3D Modifier and Type Method Description double
Gaussian3D. getVolumeOverlap(Gaussian3D g2)
double
Gaussian3D. getVolumeOverlap(Gaussian3D g2, double distCutoff)
double
Gaussian3D. getVolumeOverlap(Gaussian3D g2, Coordinates c2, double distCutoff)
Method parameters in com.actelion.research.chem.phesa with type arguments of type Gaussian3D Modifier and Type Method Description protected static void
ShapeVolume. rotateGaussian(java.util.List<? extends Gaussian3D> gaussians, double[][] rot)
protected static void
ShapeVolume. rotateGaussians180DegreeAroundAxis(java.util.List<? extends Gaussian3D> gaussians, PheSAAlignment.axis a)
protected static void
ShapeVolume. transformGaussians(java.util.List<? extends Gaussian3D> gaussians, Transformation transform)
protected void
ShapeVolume. updateCoordinates(java.util.List<? extends Gaussian3D> gaussians, Coordinates[] coords)
Constructors in com.actelion.research.chem.phesa with parameters of type Gaussian3D Constructor Description Gaussian3D(Gaussian3D original)
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Uses of Gaussian3D in com.actelion.research.chem.phesa.pharmacophore.pp
Subclasses of Gaussian3D in com.actelion.research.chem.phesa.pharmacophore.pp Modifier and Type Class Description class
PPGaussian
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Uses of Gaussian3D in com.actelion.research.chem.phesaflex
Methods in com.actelion.research.chem.phesaflex with parameters of type Gaussian3D Modifier and Type Method Description double
EvaluableFlexibleOverlap. getGradientContribution(Gaussian3D refAt, Gaussian3D fitAt, double[] grad, boolean rigid)
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