class Chem::Chain

Defined in:

chem/core/chain.cr

Constructors

Instance Method Summary

Constructor Detail

def self.new(structure : Structure, id : Char) #

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Instance Method Detail

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

The comparison operator.

Returns -1, 0 or 1 depending on whether self precedes rhs, equals to rhs or comes after rhs. The comparison is done based on chain identifier.

chains = Structure.read("peptide.pdb").chains

chains[0] <=> chains[1] # => -1
chains[1] <=> chains[1] # => 0
chains[2] <=> chains[1] # => 1

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def [](number : Int32, insertion_code : Char | Nil = nil) : Residue #

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def []?(number : Int32, insertion_code : Char | Nil = nil) : Residue | Nil #

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def atoms : AtomView #

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def clear : self #

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def delete(residue : Residue) : Residue | Nil #

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def dig(number : Int32, insertion_code : Char | Nil) : Residue #

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def dig(number : Int32, insertion_code : Char | Nil, *subindexes) #

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def dig(number : Int32) : Residue #

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def dig(number : Int32, *subindexes) #

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def dig?(number : Int32, insertion_code : Char | Nil) : Residue | Nil #

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def dig?(number : Int32, insertion_code : Char | Nil, *subindexes) #

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def dig?(number : Int32) : Residue | Nil #

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def dig?(number : Int32, *subindexes) #

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def id : Char #

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def inspect(io : IO) : Nil #
Description copied from class Reference

Appends a String representation of this object which includes its class name, its object address and the values of all instance variables.

class Person
  def initialize(@name : String, @age : Int32)
  end
end

Person.new("John", 32).inspect # => #<Person:0x10fd31f20 @name="John", @age=32>

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def matches?(id : Char) : Bool #

Returns true if the chain id equals the given character, else false.


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def matches?(ids : Enumerable(Char)) : Bool #

Returns true if the chain id is included in the given characters, else false.


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def polymer? : Bool #

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def renumber_residues_by(& : Residue -> _) : Nil #

Renumber residues based on the order by the output value of the block.


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def renumber_residues_by_connectivity : Nil #

Renumber residues based on bond information. Residue ordering is computed based on the link bond if available.


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def reset_cache : Nil #

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def residues : ResidueView #

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def spec(io : IO) : Nil #

Writes the chain specification to the given IO.

Chain specification is a short string representation encoding chain information including the id.


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def spec : String #

Returns the chain specification.

Chain specification is a short string representation encoding chain information including the id.


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def structure : Structure #

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def structure(*args, **options) #

TODO remove this nonsensical line


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def structure(*args, **options, &) #

TODO remove this nonsensical line


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def to_s(io : IO) #
Description copied from class Reference

Appends a short String representation of this object which includes its class name and its object address.

class Person
  def initialize(@name : String, @age : Int32)
  end
end

Person.new("John", 32).to_s # => #<Person:0x10a199f20>

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