def __init__(self, mode):
heme = iPDB.iPDB('./heme.pdb')
p = heme.get_Parser()
self.st = heme.Structure(p)
self.mode = np.loadtxt(mode)
self.atoms = self.st.get_atoms()
for i, atom in enumerate(self.atoms):
atom.coord = self.mode[i] # Bio.PDBのATOMオブジェクトの座標を書き換える
self.atoms = self.st.get_atoms() # ここでもう一度self.atomsを定義し直す
return
def __init__(self, pdb):
self.name = pdb.split('.')[0]
heme = iPDB.iPDB(pdb)
p = heme.get_Parser()
self.st = heme.Structure(p)
return
