autodock-Win版2014年最新中文版教程

Odyssey

顶，下下来看看

Odyssey

很详细，教程很棒

mimi

Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [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 1.2.2      ==== No Subprocess ====
>>> Unable to assign HAD type to atom Mg
Unable to assign valence to atom FASLG:B: MG301:MG type = Mg
Unable to assign MAP type to atom Mg
Sorry, there are no Gasteiger parameters available for atom FASLG:B: MG301:MG
Unable to assign XYZ type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign XYZ type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign XYZ type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Unable to assign HYB type to atom Mg
Exception in Tkinter callback
Traceback (most recent call last):
  File "F:\AutoDock Vina\mgltools\lib\lib-tk\Tkinter.py", line 1403, in __call__
    return self.func(*args)
  File "F:\AutoDock Vina\mgltools\lib\site-packages\Pmv\guiTools.py", line 350, in do_1
    self.kill(e.widget.get(e.widget.nearest(e.y)))
  File "F:\AutoDock Vina\mgltools\lib\site-packages\AutoDockTools\autostartCommands.py", line 144, in kill
    if self.manager.processCts[prog]>0:
KeyError: 'AutoDock'
这个是怎么回事呢  多谢

未央尊

因为，AUTODOCk软件里没有金属离子的立场，要自己添加才行，你搜搜，我记得群论坛有关于金属离子的立场文件来

未央尊

mimi 发表于 2015-3-26 21:35
Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [MSC v.1310 32 bit (Intel)] on win32
Type "copyrigh ...

因为，AUTODOCk软件里没有金属离子的立场，要自己添加才行，你搜搜，我记得群论坛有关于金属离子的立场文件来

swsnail

{:soso_e179:}

小小虫

新手求指教
IDLE 1.2.2      ==== No Subprocess ====
>>> ERROR *********************************************
Traceback (most recent call last):
  File "E:\Program Files\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "E:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autostartCommands.py", line 968, in doit
    self.vf.ADstart_manage.addProcess(ps)
  File "E:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autostartCommands.py", line 269, in addProcess
    if not self.kill.master.winfo_ismapped() and not self.kill.done:
  File "E:\Program Files\MGLTools-1.5.6\lib\lib-tk\Tkinter.py", line 749, in winfo_ismapped
    self.tk.call('winfo', 'ismapped', self._w))
TclError: bad window path name ".190256192"
这是怎么回事呢？我用linux系统能做出来，win系统就出现这种结果，即使autodock4能运行，但分析的时候也会出现一大片错误

xufund

请问在win7下安装MGLTools1.5.6之前，是安装python3.4.3好，还是python2.7.9好？
看python的网上有这两个版本。
现在安装autodock4.2.6确实不需要先安装cygwin了吗？

未央尊

xufund 发表于 2015-4-5 21:23
请问在win7下安装MGLTools1.5.6之前，是安装python3.4.3好，还是python2.7.9好？
看python的网上有这两个版 ...

不需要cygwin ，python好像2.7.5以上的都可以，

zixun2015

谢谢楼主，热心肠{:soso_e179:}