pH Namespace Reference

Namespaces
	calc_pka

Functions
BooleanOptionKey const	pH ("pH")
BooleanOptionKey const	pH_mode ("pH:pH_mode")
BooleanOptionKey const	keep_input_protonation_state ("pH:keep_input_protonation_state")
RealOptionKey const	value_pH ("pH:value_pH")
FileVectorOptionKey const	pH_unbound ("pH:pH_unbound")
BooleanOptionKey const	output_raw_scores ("pH:output_raw_scores")
BooleanOptionKey const	pre_process ("pH:pre_process")
StringOptionKey const	cognate_partners ("pH:cognate_partners")
FileOptionKey const	cognate_pdb ("pH:cognate_pdb")

Function Documentation

cognate_partners()

StringOptionKey const pH::cognate_partners

(

"pH:cognate_partners"

)

cognate_pdb()

FileOptionKey const pH::cognate_pdb

(

"pH:cognate_pdb"

)

keep_input_protonation_state()

BooleanOptionKey const pH::keep_input_protonation_state

(

"pH:keep_input_protonation_state"

)

output_raw_scores()

BooleanOptionKey const pH::output_raw_scores

(

"pH:output_raw_scores"

)

pH()

BooleanOptionKey const pH::pH

(

"pH"

)

pH_mode()

BooleanOptionKey const pH::pH_mode

(

"pH:pH_mode"

)

pH_unbound()

FileVectorOptionKey const pH::pH_unbound

(

"pH:pH_unbound"

)

pre_process()

BooleanOptionKey const pH::pre_process

(

"pH:pre_process"

)

value_pH()

RealOptionKey const pH::value_pH

(

"pH:value_pH"

)