Gromacs
2024.4
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Describes and manipulates secondary structure attributes of a residue.
Public Member Functions | |
void | setSecondaryStructureType (SecondaryStructureTypes secondaryStructureTypeName) |
Function that sets status of specific secondary structure to a residue. | |
void | setHelixPosition (HelixPositions helixPosition, TurnsTypes turn) |
Function that sets status of specific helix position of specific turns' type to a residue. | |
void | setBreak (SecondaryStructuresData *breakPartner) |
Function that sets status "Break" to a residue and its break partner. | |
void | setBridge (std::size_t bridgePartnerIndex, BridgeTypes bridgeType) |
Function that sets status "Bridge" or "Anti-Bridge" to a residue and its bridge partner. | |
const std::vector< std::size_t > & | getBridges (BridgeTypes bridgeType) |
Function that returns array of residue's bridges indexes. | |
bool | isBreakPartnerWith (const SecondaryStructuresData *partner) const |
Function that returns boolean status of break existence with another specific residue. | |
bool | hasBreaks () const |
Function that returns boolean status of break existence within residue. | |
bool | hasBridges (BridgeTypes bridgeType) const |
Function that returns boolean status of bridge existence with another specific residue. | |
HelixPositions | getHelixPosition (TurnsTypes turn) const |
Returns which part (None/Start/Middle/End/StartAndEnd) of a helix is represented by turn . | |
SecondaryStructureTypes | getSecondaryStructure () const |
Function that returns status of specific secondary structure in a residue. | |