BALL 1.5.0
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#include <BALL/DOCKING/COMMON/receptor.h>
Protected Attributes | |
vector< FlexDefinition > | flexinfo_ |
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String | id |
Molecule * | molecule |
vector< Conformation * > | conformations |
HashMap< String, Conformation * > | conf_ids_ |
bool | molecule_ownership_ |
Additional Inherited Members | |
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static void | generateTopologyHash (const AtomContainer *mol, String &hash, bool ignore_hydrogen=false) |
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bool | checkCompatibility (Conformation *conf) |
Receptor class. This class represents protein receptors.
Definition at line 22 of file receptor.h.
BALL::Receptor::Receptor | ( | ) |
BALL::Receptor::Receptor | ( | Protein * | p | ) |
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virtual |
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virtual |
void BALL::Receptor::addFlexConformation | ( | Conformation * | conf, |
FlexDefinition & | fd | ||
) |
Add a conformation with flexible side chains
conformation | pointer |
FlexDefinition |
FlexDefinition BALL::Receptor::getFlexDefinition | ( | Position | i | ) |
vector< FlexDefinition > BALL::Receptor::getFlexDefinitions | ( | ) |
void BALL::Receptor::setFlexDefinition | ( | Position | i, |
FlexDefinition & | fd | ||
) |
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protected |
Definition at line 44 of file receptor.h.