PYRX error

浪模拟

Error in : <bound method ChemicalTable.ConvertMolKit of <PyRx.traitedBabel.ChemicalTable; proxy of <Swig Object of type 'wxPanel *' at 0x16e01290> >>
Python 2.6.5 (r265:79096, Mar 19 2010, 21:48:26) [MSC v.1500 32 bit (Intel)] on win32
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>>> Traceback (most recent call last):
  File "C:\Program Files\PyRx\lib\site-packages\PyRx\wxMainFrame.py", line 304, in TryCommand
    retObject = command(*args, **kw)
  File "C:\Program Files\PyRx\lib\site-packages\PyRx\traitedBabel.py", line 275, in ConvertMolKit
    mol.atmNum[a.number-1] = a
UnboundLocalError: local variable 'a' referenced before assignment
>>>
这是将导入到pyrx_openbabel中的分子convert pdbqt 时出现的，这是什么错误？

川大-灰太狼

可能是你的分子格式有误，请仔细检查。