autodock受体处理grid步出现错误
请教大家，autodock在处理蛋白分子时，当进行到Grid > Macromolecule > choose > pdb name > Select Molecule这一步的时候，没有出现弹出框。但跳出了一个Python shell框，内容如下：请问大家有没有处理的方法？Python 2.5.6 (r256:88840, Nov6 2012, 15:29:26)
on linux2
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IDLE 1.2.6 ==== No Subprocess ====
>>> Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS29 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS39 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS42 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS58 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS60 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS91 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS130 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS159 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS225 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS228 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS259 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS287 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS325 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS374 missing both hydrogens!
Crystal Structure of Glmu From Mycobacterium Tuberculosis Snapshot 1_model1:A:HIS411 missing both hydrogens!
polar hydrogens missing from n-terminus of chain A
Exception in Tkinter callback
Traceback (most recent call last):
File "/home/yanqiulong/MGLTools-1.5.6/lib/python2.5/lib-tk/Tkinter.py", line 1414, in __call__
return self.func(*args)
File "/home/yanqiulong/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/autogpfCommands.py", line 4479, in chooseMolecule_cb
mol = self.chooser.getMolSet()
File "/home/yanqiulong/MGLTools-1.5.6/MGLToolsPckgs/Pmv/guiTools.py", line 178, in getMolSet
if self.mode=='single': return mols
File "/home/yanqiulong/MGLTools-1.5.6/lib/python2.5/UserList.py", line 28, in __getitem__
def __getitem__(self, i): return self.data
IndexError: list index out of range
出现这样的问题，通常是你在前面准备蛋白和小分子的时候没有赋予蛋白和小分子Autodock的原子类型。在论坛里面搜索下，就有答案。
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