OEBioUnitExtractionOptions

class OEBioUnitExtractionOptions : public OESystem::OEOptions

This class stores the optional parameter sets for biounit extraction for use in the OEExtractBioUnits function.

Code Example

Extracting Biounits by aligning to a reference protein example
Extracting Biounits from PDB header remarks example

Constructors

OEBioUnitExtractionOptions()
OEBioUnitExtractionOptions(const OEBioUnitExtractionOptions &)

Default and copy constructor that constructs a OEBioUnitExtractionOptions object.

GetMaxAtoms

unsigned GetMaxAtoms() const

Returns the maximum number of atoms for the extracted biounit.

GetMaxParts

unsigned GetMaxParts() const

Returns the maximum number of parts for a given transformation required to generate a biounit.

GetMinScore

unsigned GetMinScore() const

Returns the minimum score required for the biounit extraction’s sequence alignment.

GetPreferAuthorRecord

bool GetPreferAuthorRecord() const

Returns the boolean whether or not to prefer the author or software record for biounit extraction.

GetSuperpose

bool GetSuperpose() const

Returns the boolean whether or not to superpose the output biounit to the input reference structure.

SetMaxAtoms
bool SetMaxAtoms(unsigned maxAtoms)
Sets the maximum number of atoms allowed for the extracted biounit.

SetMaxParts
bool SetMaxParts(unsigned maxParts)
Sets the maximum number of parts allowed for a given transformation required to generate a biounit.

SetMinScore
bool SetMinScore(const unsigned value)
Sets the minimum score required for the biounit extraction’s sequence alignment.

SetPreferAuthorRecord
bool SetPreferAuthorRecord(bool preferAuthor)
Sets the boolean of whether or not to prefer the author or software record for biounit extraction.

SetSuperpose
bool SetSuperpose(bool superpose)
Sets the boolean whether or not to superpose the output biounit to the input reference structure.
See also

OEMakeDesignUnitOptions class