[BioRuby-cvs] bioruby/lib/bio/db/pdb atom.rb,1.4,1.5
Naohisa Goto
ngoto at pub.open-bio.org
Sun Dec 18 12:33:34 EST 2005
Update of /home/repository/bioruby/bioruby/lib/bio/db/pdb
In directory pub.open-bio.org:/tmp/cvs-serv29972
Modified Files:
atom.rb
Log Message:
removed Bio::PDB::Atom (and Bio::PDB::HetAtm)
Index: atom.rb
===================================================================
RCS file: /home/repository/bioruby/bioruby/lib/bio/db/pdb/atom.rb,v
retrieving revision 1.4
retrieving revision 1.5
diff -C2 -d -r1.4 -r1.5
*** atom.rb 18 Dec 2005 15:09:46 -0000 1.4
--- atom.rb 18 Dec 2005 17:33:32 -0000 1.5
***************
*** 56,113 ****
end #class Coordinate
- # Bio::PDB::Atom is a class for atom data.
- # Each ATOM line is parsed into an Atom object.
- Atom = Struct.new(:serial, :element, :alt_loc, :x, :y, :z,
- :occ, :bfac, :residue)
- class Atom
- include Utils
- include Comparable
-
- #Returns a Coordinate class instance of the xyz positions
- def xyz
- Coordinate[ x, y, z ]
- end
-
- #Returns an array of the xyz positions
- def to_a
- [ x, y, z ]
- end
-
- #Sorts based on serial numbers
- def <=>(other)
- return serial <=> other.serial
- end
-
- #Stringifies to PDB format
- def to_s
- if element.length < 4
- elementOutput = sprintf(" %-3s", element)
- else
- elementOutput = element
- end
- sprintf("%-6s%5s %s%1s%3s %1s%4s%1s %8.3f%8.3f%8.3f%6.2f%6.2f",
- record_type,
- serial, elementOutput, alt_loc, residue.resName,
- residue.chain.id, residue.resSeq, residue.iCode,
- x, y, z, occ, bfac)
- end
-
- def record_name
- 'ATOM'
- end
- def record_type
- record_name
- end
- end #class Atom
-
- # Bio::PDB::HetAtm is a class for HETATM data.
- # Each HETATM line is parsed into an HetAtm object.
- # Since HetAtm inherits Atom class, please refer Atom class for usage.
- class HetAtm < Atom
- def record_name
- 'HETATM'
- end
- end #class HetAtm
-
end #class PDB
end #class Bio
--- 56,60 ----
end #class Coordinate
end #class PDB
end #class Bio
+
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