Gemmi C++ API
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#include <monlib.hpp>
Classes | |
struct | Side |
Public Member Functions | |
int | calculate_score (const Residue &res1, const Residue *res2, char alt, char alt2, const ChemComp::Aliasing *aliasing1, const ChemComp::Aliasing *aliasing2) const |
If multiple ChemLinks match a bond, the one with highest scores should be used. | |
Public Attributes | |
std::string | id |
std::string | name |
Side | side1 |
Side | side2 |
Restraints | rt |
cif::Block | block |
Definition at line 37 of file monlib.hpp.
int gemmi::ChemLink::calculate_score | ( | const Residue & | res1, |
const Residue * | res2, | ||
char | alt, | ||
char | alt2, | ||
const ChemComp::Aliasing * | aliasing1, | ||
const ChemComp::Aliasing * | aliasing2 | ||
) | const |
If multiple ChemLinks match a bond, the one with highest scores should be used.
std::string gemmi::ChemLink::id |
Definition at line 55 of file monlib.hpp.
std::string gemmi::ChemLink::name |
Definition at line 56 of file monlib.hpp.
Side gemmi::ChemLink::side1 |
Definition at line 57 of file monlib.hpp.
Side gemmi::ChemLink::side2 |
Definition at line 58 of file monlib.hpp.
Restraints gemmi::ChemLink::rt |
Definition at line 59 of file monlib.hpp.
cif::Block gemmi::ChemLink::block |
Definition at line 60 of file monlib.hpp.