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()
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()
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)
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)