OECapBuilderOptions¶
Attention
This is a preliminary API until Spring 2021 and may be improved based on user feedback. It is currently available in C++ and Python.
class OECapBuilderOptions
This class stores the optional parameter sets for building caps in the OECapTermini, OECapCTermini, and OECapNTermini functions.
Constructors¶
OECapBuilderOptions()=default
OECapBuilderOptions(const OECapBuilderOptions &)=default
Default and copy constructor that constructs a OECapBuilderOptions object.
GetDeleteClashingSolvent¶
bool GetDeleteClashingSolvent() const
Returns the boolean whether or not to delete solvent waters that clash with other atoms.
GetAllowTruncate¶
bool GetAllowTruncate() const
Returns the boolean whether or not it is okay to make a terminal residue the cap if building one would result in a clash, or if the backbone of the residue itself is incomplete
SetDeleteClashingSolvent¶
void SetDeleteClashingSolvent(bool deleteClashingSolvent)
Sets the boolean of whether or not to delete solvent waters that clash with other atoms.
SetAllowTruncate¶
void SetAllowTruncate(bool allowTruncate)
Sets the boolean of whether or not it is okay to make a terminal residue the cap if building one would result in a clash, or if the backbone of the residue itself is incomplete
See also
- OEMakeDesignUnitOptions class
- OEDesignUnitPrepOptions class
- OEDesignUnitBuildOptions class
- OECapTermini function
- OECapCTermini function
- OECapNTermini functions