problem in running autogrid

Python Prescription - Virtual Screening Tool

[PyRx is no longer developed at MGL]

Moderator: sargis

Forum rules
[PyRx is no longer developed at MGL]

problem in running autogrid

Postby sam » Mon Dec 21, 2015 11:14 am

I was trying to dock multiple ligands in a macromolecule but the following error was shown
Failed to connect to
<urlopen error [Errno 10065] A socket operation was attempted

Error in : <bound method RunAutoGrid.TryRun of <PyRx.autogridPage.RunAutoGrid; proxy of <Swig Object of type 'wxPanel *' at 0x9db0030> >>
Python 2.6.5 (r265:79096, Mar 19 2010, 21:48:26) [MSC v.1500 32 bit (Intel)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> Traceback (most recent call last):
File "C:\Program Files\PyRx\lib\site-packages\PyRx\", line 304, in TryCommand
retObject = command(*args, **kw)
File "C:\Program Files\PyRx\lib\site-packages\PyRx\", line 229, in TryRun
File "C:\Program Files\PyRx\lib\site-packages\PyRx\", line 657, in Start
resp = self.appServicePort.launchJob(self.req)
File "C:\Program Files\PyRx\lib\site-packages\PyRx\AppService\", line 58, in launchJob
self.binding.Send(None, None, request, soapaction="", **kw)
File "C:\Program Files\PyRx\lib\site-packages\ZSI\", line 291, in Send
File "C:\Program Files\PyRx\lib\", line 716, in connect
File "C:\Program Files\PyRx\lib\", line 500, in create_connection
for res in getaddrinfo(host, port, 0, SOCK_STREAM):
gaierror: [Errno 11004] getaddrinfo failed
User avatar
Millimolar User
Millimolar User
Posts: 5
Joined: Thu Dec 17, 2015 8:39 am

Re: problem in running autogrid

Postby sargis » Mon Dec 21, 2015 2:23 pm

Thank you for the message and sorry about that. You are probably using PyRx 0.8 that no longer support this service.

You can install and run AutoDock locally or purchase the latest version of PyRx that includes many important updates and fixes.
User avatar
Picomolar User
Picomolar User
Posts: 583
Joined: Fri Oct 17, 2008 10:39 pm

Return to PyRx

Who is online

Users browsing this forum: No registered users and 1 guest