class MM::ResidueType

Defined in:

mm/residue_type.cr

Constructors

Instance Method Summary

Constructor Detail

def self.new(name : String, atoms : Hash(String, AtomRecord), bonds : Array(BondRecord), link_bond : BondRecord | Nil = nil, first_patch : String | Nil = nil, last_patch : String | Nil = nil) #

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Instance Method Detail

def <=>(rhs : self) : Int32 #

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def atoms : Hash::View(String, AtomRecord) #

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def bonds : Array::View(BondRecord) #

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def first_patch : String | Nil #

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def last_patch : String | Nil #

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def link_bond : BondRecord | Nil #

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def name : String #

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def partial_charge : Float64 #

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