[BioRuby-cvs] bioruby/lib/bio/db/pdb atom.rb, 1.1, 1.2 pdb.rb, 1.1,
1.2 utils.rb, 1.1, 1.2
Katayama Toshiaki
k at pub.open-bio.org
Wed Sep 7 21:22:13 EDT 2005
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Update of /home/repository/bioruby/bioruby/lib/bio/db/pdb
In directory pub.open-bio.org:/tmp/cvs-serv9021/lib/bio/db/pdb
Modified Files:
atom.rb pdb.rb utils.rb
Log Message:
* expanded tab at the line head
Index: atom.rb
===================================================================
RCS file: /home/repository/bioruby/bioruby/lib/bio/db/pdb/atom.rb,v
retrieving revision 1.1
retrieving revision 1.2
diff -C2 -d -r1.1 -r1.2
*** atom.rb 8 Mar 2004 07:30:40 -0000 1.1
--- atom.rb 8 Sep 2005 01:22:11 -0000 1.2
***************
*** 63,67 ****
attr_accessor :serial, :element, :alt_loc, :x, :y, :z,
! :occ, :bfac, :residue
def initialize(serial, element, alt_loc, x, y, z,
--- 63,67 ----
attr_accessor :serial, :element, :alt_loc, :x, :y, :z,
! :occ, :bfac, :residue
def initialize(serial, element, alt_loc, x, y, z,
***************
*** 71,77 ****
@element = element
@alt_loc = alt_loc
! @x = x
! @y = y
! @z = z
@occ = occ
@bfac = bfac
--- 71,77 ----
@element = element
@alt_loc = alt_loc
! @x = x
! @y = y
! @z = z
@occ = occ
@bfac = bfac
***************
*** 88,92 ****
#Returns an array of the xyz positions
def to_a
! [@x, at y, at z]
end
--- 88,92 ----
#Returns an array of the xyz positions
def to_a
! [@x, at y, at z]
end
Index: utils.rb
===================================================================
RCS file: /home/repository/bioruby/bioruby/lib/bio/db/pdb/utils.rb,v
retrieving revision 1.1
retrieving revision 1.2
diff -C2 -d -r1.1 -r1.2
*** utils.rb 8 Mar 2004 07:30:40 -0000 1.1
--- utils.rb 8 Sep 2005 01:22:11 -0000 1.2
***************
*** 36,43 ****
self.each_atom{ |atom|
! x += atom.x
! y += atom.y
! z += atom.z
! count += 1
}
--- 36,43 ----
self.each_atom{ |atom|
! x += atom.x
! y += atom.y
! z += atom.z
! count += 1
}
***************
*** 69,78 ****
self.each_atom{ |atom|
! element = atom.element[0,1]
! mass = ElementMass[element]
! total += mass
! x += atom.x * mass
! y += atom.y * mass
! z += atom.z * mass
}
--- 69,78 ----
self.each_atom{ |atom|
! element = atom.element[0,1]
! mass = ElementMass[element]
! total += mass
! x += atom.x * mass
! y += atom.y * mass
! z += atom.z * mass
}
***************
*** 196,200 ****
def each_chain()
self.each_model{ |model|
! model.each{ |chain| yield chain }
}
end
--- 196,200 ----
def each_chain()
self.each_model{ |model|
! model.each{ |chain| yield chain }
}
end
***************
*** 211,215 ****
def each_residue()
self.each_chain{ |chain|
! chain.each{ |residue| yield residue }
}
end
--- 211,215 ----
def each_residue()
self.each_chain{ |chain|
! chain.each{ |residue| yield residue }
}
end
***************
*** 226,230 ****
def each_atom()
self.each_residue{ |residue|
! residue.each{ |atom| yield atom }
}
end
--- 226,230 ----
def each_atom()
self.each_residue{ |residue|
! residue.each{ |atom| yield atom }
}
end
Index: pdb.rb
===================================================================
RCS file: /home/repository/bioruby/bioruby/lib/bio/db/pdb/pdb.rb,v
retrieving revision 1.1
retrieving revision 1.2
diff -C2 -d -r1.1 -r1.2
*** pdb.rb 8 Mar 2004 07:30:40 -0000 1.1
--- pdb.rb 8 Sep 2005 01:22:11 -0000 1.2
***************
*** 49,53 ****
module Pdb_Integer
def self.new(str)
! str.strip.to_i
end
end
--- 49,53 ----
module Pdb_Integer
def self.new(str)
! str.strip.to_i
end
[...2082 lines suppressed...]
! @seqres
end
end
***************
*** 1356,1362 ****
def dbref(chainID = nil)
if chainID then
! self.record('DBREF').find_all { |f| f.chainID == chainID }
else
! self.record('DBREF')
end
end
--- 1356,1362 ----
def dbref(chainID = nil)
if chainID then
! self.record('DBREF').find_all { |f| f.chainID == chainID }
else
! self.record('DBREF')
end
end
- Previous message: [BioRuby-cvs] bioruby/lib/bio/db/kegg brite.rb, 0.5, 0.6 cell.rb,
1.6, 1.7 compound.rb, 0.10, 0.11 enzyme.rb, 0.7, 0.8 genes.rb,
0.19, 0.20 genome.rb, 0.13, 0.14 glycan.rb, 1.1,
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