Error when run autodock using PyRx

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Error when run autodock using PyRx

Postby Shirley » Wed Nov 04, 2015 10:49 am

Hi,

Get below:
Error parsing C:\Users\End User\.mgltools\PyRx\Macromolecules\target_afterMinimized\ZINC00001601_uff_E=541.81\target_afterMinimized_ZINC00001601_uff_E=541.81.dlgPlease open that dlg file with a text editor and look for error messages or any other message that would give a clue as to what's wrong with the dlg.
The following is the Exception:
Docking instance has no attribute 'ligMol'


PyRx product version: 0.8 and operating system: windows 8. I have the autodock4.exe and autogrid4.exe. I am unsure what happen and i also tried many times but still get above error. The above dlg file is attached below. I have see the forum regard the Docking instance has no attribute 'ligMol', seem like this forum also did not help too much as still cannot successfully run autodock and have result. Please kindly help me. It is very urgent and important for me as i now currently doing with research regard virtual screening. Therefore, i really need to solve this error in order to proceed further. Thank you very much for your kindly help :)

regards,
Shirley
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target_afterMinimized_ZINC00000393_uff_E=140.92.dlg
dlg file
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Shirley
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Re: Error when run autodock using PyRx

Postby Shirley » Thu Nov 05, 2015 5:46 pm

Can someone kindly help me? Problem still not yet solve even i have tried few times. Thank you very much :)
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Re: Error when run autodock using PyRx

Postby sargis » Sat Nov 07, 2015 10:32 pm

Shirley wrote:Can someone kindly help me? Problem still not yet solve even i have tried few times. Thank you very much :)

Dear Shirley,

The has been fixed in PyRx version 0.9. If you don't want to update to this version you can either apply a patch mentioned at viewtopic.php?f=25&t=2585&p=7196#p7196 or make molecule name shorter (e.g. target_afterMinimized => foo).
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