Class SingleFlexophoreEntityExtractor
- java.lang.Object
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- com.actelion.research.chem.descriptor.flexophore.entity.SingleFlexophoreEntityExtractor
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public class SingleFlexophoreEntityExtractor extends java.lang.Object
SingleFlexophoreEntityExtractor Extract pharmacophore points and linker.Copyright: Actelion Ltd., Inc. All Rights Reserved This software is the proprietary information of Actelion Pharmaceuticals, Ltd. Use is subject to license terms.
- Version:
- 1.0 Jan 14, 2013 MvK Start implementation
- Author:
- Modest von Korff
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Field Summary
Fields Modifier and Type Field Description static int
OFFSET_LABEL_RGROUP_FUSION
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Constructor Summary
Constructors Constructor Description SingleFlexophoreEntityExtractor(java.lang.String idcode, java.lang.String coordinates)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.util.List<Linker>
getLinkerList()
java.util.List<FlexophorePoint>
getPharmacophorePointList()
void
process()
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Field Detail
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OFFSET_LABEL_RGROUP_FUSION
public static final int OFFSET_LABEL_RGROUP_FUSION
- See Also:
- Constant Field Values
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Method Detail
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process
public void process() throws UnparametrizedAtomTypeException
- Throws:
UnparametrizedAtomTypeException
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getPharmacophorePointList
public java.util.List<FlexophorePoint> getPharmacophorePointList()
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getLinkerList
public java.util.List<Linker> getLinkerList()
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