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Cannot use PM6 for proteins
https://www.dockingserver.com/forum/viewtopic.php?f=2&t=63
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Author:  vittuperkele [ Mon Jan 16, 2012 1:49 pm ]
Post subject:  Cannot use PM6 for proteins

Subscription needed. Why? Cannot use PM6 for proteins. I have month subscription.

Author:  bikadi [ Mon Jan 16, 2012 6:23 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Thank you for notifying us, please try it out now.

Author:  vittuperkele [ Mon Jan 16, 2012 7:10 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Works like charm! Thank you!

Too bad I didn't have the time to inform about this when I started my project - deadline comping up and I don't have the time nor the motivation to stress the servers with doing the ~400 dockings again :D

Author:  bikadi [ Mon Jan 16, 2012 7:46 pm ]
Post subject:  Re: Cannot use PM6 for proteins

It depends what is important to you - if energy, than PM6 protein setup is not an advantage, if geometry than you should try several example dockings and the results will motivate you to do the other dockings :)

Author:  vittuperkele [ Mon Jan 16, 2012 9:04 pm ]
Post subject:  Re: Cannot use PM6 for proteins

I understand you perfectly - but at the moment I do not have enough money (as a individual) to get the year subscription to recalculate them. I need all the data in excel file for my patent application by next monday :)

EDIT:

Oh, an error message for the 1o8a-enzyme with PM6:

"tools/autogrid5: ERROR: The number of atom types found in the receptor PDBQT (9) does not match the number specified by the "receptor_types" command (8) in the GPF!




tools/autogrid5: ERROR: Sorry, AutoGrid cannot continue."

Author:  bikadi [ Tue Jan 17, 2012 1:50 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Sorry to hear that you got this error message - we have identified the bug and working to fix it (it may take 1-2 days). I will notify you when it is fixed.

Author:  vittuperkele [ Wed Jan 18, 2012 7:40 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Appreciated! Thanks!

Author:  bikadi [ Thu Jan 19, 2012 2:55 pm ]
Post subject:  Re: Cannot use PM6 for proteins

It is fixed, your protein is ready to dock :)

Author:  vhsialab1 [ Mon Mar 19, 2012 2:56 am ]
Post subject:  Re: Cannot use PM6 for proteins

I also cannot use the PM6 calcultion

Author:  bikadi [ Mon Mar 19, 2012 4:14 pm ]
Post subject:  Re: Cannot use PM6 for proteins

vhsialab1 wrote:
I also cannot use the PM6 calcultion


Fixed, thenk you for notifying us.

Author:  pharmaco19 [ Sat Apr 28, 2012 5:05 pm ]
Post subject:  Re: Cannot use PM6 for proteins

I have one month subscription and cannot use PM6 for proteins "Subscription needed" How come?!!!!!!!!!!!!!!!!!

Author:  bikadi [ Sun Apr 29, 2012 9:17 am ]
Post subject:  Re: Cannot use PM6 for proteins

pharmaco19 wrote:
I have one month subscription and cannot use PM6 for proteins "Subscription needed" How come?!!!!!!!!!!!!!!!!!

Please try it out now.

Author:  Siddhartha Kundu [ Tue Jul 25, 2017 5:31 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Hi, I too, have a subscription (33 days) and cannot utilize PM6 for calculating proteins.

Email (siddhartha_kundu@yahoo.co.in)

Author:  bikadi [ Fri Jul 28, 2017 12:53 pm ]
Post subject:  Re: Cannot use PM6 for proteins

Fixed, thanks for reporting.

Author:  Siddhartha Kundu [ Sun Aug 13, 2017 1:53 am ]
Post subject:  Re: Cannot use PM6 for proteins

Thanks. It works now. Some of the docking calculations report an error when making the results table. Other than restarting the calculation is there a way around this?

Author:  bikadi [ Thu Aug 17, 2017 12:24 pm ]
Post subject:  Re: Cannot use PM6 for proteins

You don't have to restart the calculation, only the make_result_table step.

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