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[交流] 【求助】autodock4.0的结果分析出现的问题

请教各位高手，我用autodock4.0进行分子对接时，对接结果正常，也能显示出不同的对接结果的分子构象，但是当我用Analyze---Dockings---Show Interactions工具时，出现如下错误：

Python 2.5 (r25:51908, Sep 19 2006, 09:52:17) [MSC v.1310 32 bit (Intel)] on win32
Type "copyright", "credits" or "license()" for more information.

****************************************************************
Personal firewall software may warn about the connection IDLE
makes to its subprocess using this computer's internal loopback
interface.  This connection is not visible on any external
interface and no data is sent to or received from the Internet.
****************************************************************

IDLE 1.2    ==== No Subprocess ====
>>> ERROR *********************************************
Traceback (most recent call last):
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\ViewerFramework\VF.py", line 716, in tryto
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\autoanalyzeCommands.py", line 2087, in doit
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\autoanalyzeCommands.py", line 1912, in build
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 46, in __init__
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 56, in build
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 65, in buildCloseContactAtoms
  File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\distanceSelector.py", line 106, in select
  File "D:\Programfiles\MGLToolsPckgs\numpy\core\fromnumeric.py", line 541, in resize
a = concatenate( (a,)*n_copies)
ValueError: dimensions too large.
请教各位高手是什么原因呢？不胜感激！

[ Last edited by swordzj858 on 2008-8-19 at 07:37 ]

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