Class | Bio::PDB::Residue
In: | lib/bio/db/pdb/residue.rb
Parent: | Object

Bio::PDB::Residue is a class to store a residue. The object would contain some atoms (Bio::PDB::Record::ATOM objects).

### Methods

<=> [] addAtom each each_atom get_residue_id_from_atom hetatm iCode= inspect new resSeq= to_s

### Included Modules

Utils AtomFinder Enumerable Comparable

### External Aliases

residue_id | -> | id
| Now, Residue#id is an alias of residue_id.

### Attributes

atoms | [R] | atoms in this residue. (Array)
chain | [RW] | the chain to which this residue belongs
iCode | [R] | iCode
resName | [RW] | resName (residue name)
resSeq | [R] | resSeq
residue_id | [R] | residue id (String or nil). The id is a composite of resSeq and iCode.

### Public Class methods

get_residue_id_from_atom(atom)

Creates residue id from an ATOM (or HETATM) object.

[Source]

        # File lib/bio/db/pdb/residue.rb, line 34
    34:       def self.get_residue_id_from_atom(atom)
    35:         "#{atom.resSeq}#{atom.iCode.strip}".strip
    36:       end

new(resName = nil, resSeq = nil, iCode = nil, chain = nil)

Creates a new Residue object.

[Source]

        # File lib/bio/db/pdb/residue.rb, line 39
    39:       def initialize(resName = nil, resSeq = nil, iCode = nil,
    40:                      chain = nil)
    41:
    42:         @resName = resName
    43:         @resSeq  = resSeq
    44:         @iCode   = iCode
    45:
    46:         @chain   = chain
    47:         @atoms   = []
    48:
    49:         update_residue_id
    50:       end

### Public Instance methods

<=>(other)

Sorts based on resSeq and iCode if need be

[Source]

         # File lib/bio/db/pdb/residue.rb, line 119
    119:       def <=>(other)
    120:         if @resSeq != other.resSeq
    121:           return @resSeq <=> other.resSeq
    122:         else
    123:           return @iCode <=> other.iCode
    124:         end
    125:       end

[](key)

Keyed access to atoms based on atom name e.g. ["CA"]

[Source]

        # File lib/bio/db/pdb/residue.rb, line 69
    69:       def [](key)
    70:         @atoms.find{ |atom| key == atom.name }
    71:       end

addAtom(atom)

Adds an atom to this residue

[Source]

         # File lib/bio/db/pdb/residue.rb, line 105
    105:       def addAtom(atom)
    106:         raise "Expecting ATOM or HETATM" unless atom.is_a? Bio::PDB::Record::ATOM
    107:         @atoms.push(atom)
    108:         self
    109:       end

each() {|atom| ...}

Iterator over the atoms

[Source]

         # File lib/bio/db/pdb/residue.rb, line 112
    112:       def each
    113:         @atoms.each{ |atom| yield atom }
    114:       end

each_atom()

Alias for each

hetatm()

Always returns false.

If the residue is HETATM, returns true. Otherwise, returns false.

[Source]

         # File lib/bio/db/pdb/residue.rb, line 142
    142:       def hetatm
    143:         false
    144:       end

iCode=(iCode)

iCode=()

[Source]

         # File lib/bio/db/pdb/residue.rb, line 98
     98:       def iCode=(iCode)
     99:         @iCode = iCode
    100:         update_residue_id
    101:         @iCode
    102:       end

inspect()

returns a string containing human-readable representation of this object.

[Source]

         # File lib/bio/db/pdb/residue.rb, line 134
    134:       def inspect
    135:         "#<#{self.class.to_s} resName=#{resName.inspect} id=#{residue_id.inspect} chain.id=#{(chain ? chain.id : nil).inspect} resSeq=#{resSeq.inspect} iCode=#{iCode.inspect} atoms.size=#{atoms.size}>"
    136:       end

resSeq=(resSeq)

resSeq=()

[Source]

        # File lib/bio/db/pdb/residue.rb, line 88
    88:       def resSeq=(resSeq)
    89:         @resSeq = resSeq.to_i
    90:         update_residue_id
    91:         @resSeq
    92:       end

to_s()

Stringifies each atom

[Source]

         # File lib/bio/db/pdb/residue.rb, line 128
    128:       def to_s
    129:         @atoms.join('')
    130:       end

[Validate]