nmr::spinlabel Namespace Reference

Functions
BooleanOptionKey const	spinlabel ("nmr:spinlabel")
IntegerOptionKey const	max_ensemble_size ("nmr:spinlabel:max_ensemble_size")
StringOptionKey const	highres_conformer_filter_type ("nmr:spinlabel:highres_conformer_filter_type")
BooleanOptionKey const	elaborate_rotamer_clash_check ("nmr:spinlabel:elaborate_rotamer_clash_check")
RealOptionKey const	boltzmann_kt ("nmr:spinlabel:boltzmann_kt")

Function Documentation

boltzmann_kt()

RealOptionKey const nmr::spinlabel::boltzmann_kt

(

"nmr:spinlabel:boltzmann_kt"

)

References spinlabel().

elaborate_rotamer_clash_check()

BooleanOptionKey const nmr::spinlabel::elaborate_rotamer_clash_check

(

"nmr:spinlabel:elaborate_rotamer_clash_check"

)

References spinlabel().

highres_conformer_filter_type()

StringOptionKey const nmr::spinlabel::highres_conformer_filter_type

(

"nmr:spinlabel:highres_conformer_filter_type"

)

References spinlabel().

max_ensemble_size()

IntegerOptionKey const nmr::spinlabel::max_ensemble_size

(

"nmr:spinlabel:max_ensemble_size"

)

References spinlabel().

spinlabel()

BooleanOptionKey const nmr::spinlabel::spinlabel

(

"nmr:spinlabel"

)

Referenced by boltzmann_kt(), elaborate_rotamer_clash_check(), highres_conformer_filter_type(), and max_ensemble_size().