pdb

type Atom struct {
	Serial     int
	Name       string
	AltLoc     string
	ResName    string
	ChainID    string
	ResSeq     int
	ICode      string
	X, Y, Z    float64
	Occupancy  float64
	TempFactor float64
	Element    string
	Charge     string
}

type Chain struct {
	ChainID  string
	Residues []*Residue
}

type Connection struct {
	Serial1 int
	Serial2 int
}

type Helix struct {
	Serial      int
	HelixID     string
	InitResName string
	InitChainID string
	InitSeqNum  int
	InitICode   string
	EndResName  string
	EndChainID  string
	EndSeqNum   int
	EndICode    string
	HelixClass  int // TODO: enum?
	Length      int
}

type Matrix [4][4]float64

type Model struct {
	Atoms       []*Atom
	HetAtoms    []*Atom
	Connections []*Connection
	Helixes     []*Helix
	Strands     []*Strand
	BioMatrixes []Matrix
	SymMatrixes []Matrix
	Residues    []*Residue
	Chains      []*Chain
}

type Reader struct {
	io.Reader
}

type Residue struct {
	ResName     string
	ChainID     string
	ResSeq      int
	Atoms       []*Atom
	AtomsByName map[string]*Atom
	Type        ResidueType
}

type ResidueType int

type Strand struct {
	Strand      int
	SheetID     string
	NumStrands  int
	InitResName string
	InitChainID string
	InitSeqNum  int
	InitICode   string
	EndResName  string
	EndChainID  string
	EndSeqNum   int
	EndICode    string
	Sense       int // TODO: enum?
	CurAtom     string
	CurResName  string
	CurChainId  string
	CurResSeq   int
	CurICode    string
	PrevAtom    string
	PrevResName string
	PrevChainId string
	PrevResSeq  int
	PrevICode   string
}