def save_pdb(self, strct, name):
"""
save a pdb structure as file
"""
io1 = pdb.PDBIO()
io1.set_structure(strct)
io1.save("pymol_output/" + name)
def save_pseudo(self, chainlist, pname):
pseudopdb = pdb.Structure.Structure(pname)
pseudopdb.add(pdb.Model.Model(0))
for hi, h in enumerate(chainlist):
pseudopdb[0].add((pdb.Chain.Chain(str(hi + 1))))
for j, r in enumerate(h):
res = pdb.Residue.Residue((" ", j, " "), "X", j)
res.add(pdb.Atom.Atom("CA", r, 0, 0, "X", "PSO", 0, "U"))
pseudopdb[0][str(hi + 1)].add(res)
io1 = pdb.PDBIO()
io1.set_structure(pseudopdb)
io1.save("pymol_output/" + pname + '.pdb')
def save_pdb(self, strct, name):
io1 = pdb.PDBIO()
io1.set_structure(strct)
io1.save("pymol_output/" + name)
def save_pdb(self, strct, name):
io1 = pdb.PDBIO()
io1.set_structure(strct)
io1.save(name)