Esempio n. 1
0
def exercise():
    pdb_in = iotbx.pdb.hierarchy.input(pdb_string=pdb_raw)
    open("tmp.pdb", "w").write(pdb_in.hierarchy.as_pdb_string())
    backrubs = backbone.find_backrubs(pdb_hierarchy=pdb_in.hierarchy)
    assert (len(backrubs) == 1)
    out = StringIO()
    backrubs[0].show(out=out)
    assert (out.getvalue() == """backrub  A   4  (A,B): angle=-26.0\n"""), \
      out.getvalue()
Esempio n. 2
0
def exercise () :
  pdb_in = iotbx.pdb.hierarchy.input(pdb_string=pdb_raw)
  open("tmp.pdb", "w").write(pdb_in.hierarchy.as_pdb_string())
  backrubs = backbone.find_backrubs(
    pdb_hierarchy=pdb_in.hierarchy)
  assert (len(backrubs) == 1)
  out = StringIO()
  backrubs[0].show(out=out)
  assert (out.getvalue() == """backrub  A   4  (A,B): angle=-26.0\n"""), \
    out.getvalue()
Esempio n. 3
0
 def append_residue_group(self, rg):
     self.residue_groups.append(residue_group_proxy(rg))
     rg_backrubs = backbone.find_backrubs(residue_group=rg)
     self.backrubs.append(rg_backrubs)
Esempio n. 4
0
 def append_residue_group (self, rg) :
   self.residue_groups.append(residue_group_proxy(rg))
   rg_backrubs = backbone.find_backrubs(residue_group=rg)
   self.backrubs.append(rg_backrubs)