See: Description
| Class | Description |
|---|---|
| AdaptiveRegionizer |
this class is to find adaptive QM region or adaptive QM core region.
|
| BufferRegionizer |
this class is to locate buffer region based on the densiyt of qm core
|
| DensityBasedRegionizer |
this class is to find adaptive QM core region, adaptive QM region and buffer
region busing density based adaptive qm/mm partitioning.
|
| DistanceRegionizer |
This class is for setting up distance based adaptive QM/MM partitioning to
get the QM region and buffer region
|
| NumberRegionizer |
this class is the calculation of number based qm/mm partitioning.
|
| ParameterRegionizer |
this class is for parameter based adaptive qm/mm partitioning (distance and
number).
|
| RegionizerService |
this class is to get molecules for those regions in the List regionNames.
|
| SingleRegionizerService |
this class is to get molecules in one region
|
| SizeConsistentRegionizer |
this class is the calculation of size consistent qm/mm partitioning.
|