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object --+ | ??.instance --+ | ResidueConnection
A simple class marking atoms at inter-residue connections. Each residue type specifies some number of positions at which it is expecting to form a chemical bond with another residue. Think of them as ports: they are parts of the residue where there are chemical bonds beyond the intra-residue chemical bonds are expected -- places where they can be chemically linked to the outside world. A conformation::Residue will require that its ResidueConnections be fulfilled by other Residues -- the ResConnID class describes how two residues are connected: e.g., the third ResConnID for residue 10 would say "I connect to residue 58 at residue 58's third residue connection" if residue 10 and residue 58 were disulfide bonded as the disulfide connection id is "3" for two mid-protein cystine residues. The advantages of separating ResidueConnections from atoms themselves are that 1) it allows multiple residue connections to stem from the same atom -- useful for single-atom residues, such as coordinated metals (Zn, Mg), and 2) it allows one residue to change its set of atoms without invalidating the bond information (e.g. the atom index) on its partner. For example, if a chain-break were placed between residues 57 and 58, then residue 58 will get an extra C-prev virtual atom, and the index of SG will change. Residue 10, if it had recorded the SG index would have to find SG's new index. If instead, the connection point is represented simply as connection point 3, and if the new residue type (the chainbreak disulfide residue) has the same number of residue connections as the original residue type (it will!) then nothing about residue 10 needs to be updated.
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__instance_size__ = 32
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__init__( (object)arg1) -> None : C++ signature : void __init__(_object*) __init__( (object)arg1, (ResidueConnection)) -> None : A simple class marking atoms at inter-residue connections. Each residue type specifies some number of positions at which it is expecting to form a chemical bond with another residue. Think of them as ports: they are parts of the residue where there are chemical bonds beyond the intra-residue chemical bonds are expected -- places where they can be chemically linked to the outside world. A conformation::Residue will require that its ResidueConnections be fulfilled by other Residues -- the ResConnID class describes how two residues are connected: e.g., the third ResConnID for residue 10 would say "I connect to residue 58 at residue 58's third residue connection" if residue 10 and residue 58 were disulfide bonded as the disulfide connection id is "3" for two mid-protein cystine residues. The advantages of separating ResidueConnections from atoms themselves are that 1) it allows multiple residue connections to stem from the same atom -- useful for single-atom residues, such as coordinated metals (Zn, Mg), and 2) it allows one residue to change its set of atoms without invalidating the bond information (e.g. the atom index) on its partner. For example, if a chain-break were placed between residues 57 and 58, then residue 58 will get an extra C-prev virtual atom, and the index of SG will change. Residue 10, if it had recorded the SG index would have to find SG's new index. If instead, the connection point is represented simply as connection point 3, and if the new residue type (the chainbreak disulfide residue) has the same number of residue connections as the original residue type (it will!) then nothing about residue 10 needs to be updated. C++ signature : void __init__(_object*,core::chemical::ResidueConnection) __init__( (object)arg1, (int)atomno_in, (object)vertex) -> None : constructor with atom index number C++ signature : void __init__(_object*,int,void*)
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helper for pickle
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atomno( (ResidueConnection)arg1) -> int : get atom index number C++ signature : int atomno(core::chemical::ResidueConnection {lvalue}) atomno( (ResidueConnection)arg1, (int)atomno_in) -> None : set atom index number C++ signature : void atomno(core::chemical::ResidueConnection {lvalue},unsigned long) |
icoor( (ResidueConnection)arg1) -> AtomICoor : get atom's AtomICoor C++ signature : core::chemical::AtomICoor icoor(core::chemical::ResidueConnection {lvalue}) icoor( (ResidueConnection)arg1, (AtomICoor)ic) -> None : set atom's AtomICoor C++ signature : void icoor(core::chemical::ResidueConnection {lvalue},core::chemical::AtomICoor) |
index( (ResidueConnection)arg1) -> int : core/chemical/ResidueConnection.hh:147 C++ signature : int index(core::chemical::ResidueConnection {lvalue}) index( (ResidueConnection)arg1, (int)index_in) -> None : core/chemical/ResidueConnection.hh:148 C++ signature : void index(core::chemical::ResidueConnection {lvalue},int) |
vertex( (ResidueConnection)arg1) -> object : get the vetex associated with this residue connection C++ signature : void* vertex(core::chemical::ResidueConnection {lvalue}) vertex( (ResidueConnection)arg1, (object)vertex) -> None : set the vertex of this residue connection C++ signature : void vertex(core::chemical::ResidueConnection {lvalue},void*) |
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