Uses of Class
org.openmolecules.chem.conf.gen.RigidFragmentProvider
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Packages that use RigidFragmentProvider Package Description org.openmolecules.chem.conf.gen -
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Uses of RigidFragmentProvider in org.openmolecules.chem.conf.gen
Methods in org.openmolecules.chem.conf.gen with parameters of type RigidFragmentProvider Modifier and Type Method Description static RigidFragmentCache
RigidFragmentCache. createCache(java.lang.String[] inputFileNames, java.lang.String outputDirectory, int threadCount, boolean optimizeFragments, int maxCompoundsPerFile, RigidFragmentProvider rfp)
This is a helper method to generate a custom cache and optionally a set of cache files from one or more compound files.Constructors in org.openmolecules.chem.conf.gen with parameters of type RigidFragmentProvider Constructor Description ConformerGenerator(long seed, RigidFragmentProvider rfp)
Instantiates a ConformerGenerator for creating reproducible conformers unless seed is 0L.
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