ATOM record class
Sorts based on serial numbers
# File lib/bio/db/pdb/pdb.rb, line 974 def <=>(other) return serial <=> other.serial end
# File lib/bio/db/pdb/pdb.rb, line 978 def do_parse return self if @parsed or !@str self.serial = @str[6..10].to_i self.name = @str[12..15].strip self.altLoc = @str[16..16] self.resName = @str[17..19].strip self.chainID = @str[21..21] self.resSeq = @str[22..25].to_i self.iCode = @str[26..26].strip self.x = @str[30..37].to_f self.y = @str[38..45].to_f self.z = @str[46..53].to_f self.occupancy = @str[54..59].to_f self.tempFactor = @str[60..65].to_f self.segID = @str[72..75].to_s.rstrip self.element = @str[76..77].to_s.lstrip self.charge = @str[78..79].to_s.strip @parsed = true self end
Returns an array of the xyz positions
# File lib/bio/db/pdb/pdb.rb, line 969 def to_a [ x, y, z ] end
# File lib/bio/db/pdb/pdb.rb, line 1046 def to_s atomname = justify_atomname sprintf("%-6s%5d %-4s%-1s%3s %-1s%4d%-1s %8.3f%8.3f%8.3f%6.2f%6.2f %-4s%2s%-2s\n", self.record_name, self.serial, atomname, self.altLoc, self.resName, self.chainID, self.resSeq, self.iCode, self.x, self.y, self.z, self.occupancy, self.tempFactor, self.segID, self.element, self.charge) end
Returns a Coordinate class instance of the xyz positions
# File lib/bio/db/pdb/pdb.rb, line 964 def xyz Coordinate[ x, y, z ] end
Generated with the Darkfish Rdoc Generator 2.