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 Post subject: Cannot use PM6 for proteins
PostPosted: Mon Jan 16, 2012 1:49 pm 

Joined: Fri Jan 06, 2012 12:04 pm
Posts: 23
Subscription needed. Why? Cannot use PM6 for proteins. I have month subscription.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Jan 16, 2012 6:23 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
Thank you for notifying us, please try it out now.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Jan 16, 2012 7:10 pm 

Joined: Fri Jan 06, 2012 12:04 pm
Posts: 23
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


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Jan 16, 2012 7:46 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
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 :)


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Jan 16, 2012 9:04 pm 

Joined: Fri Jan 06, 2012 12:04 pm
Posts: 23
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."


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Tue Jan 17, 2012 1:50 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
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.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Wed Jan 18, 2012 7:40 pm 

Joined: Fri Jan 06, 2012 12:04 pm
Posts: 23
Appreciated! Thanks!


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Thu Jan 19, 2012 2:55 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
It is fixed, your protein is ready to dock :)


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Mar 19, 2012 2:56 am 

Joined: Wed Mar 07, 2012 9:17 pm
Posts: 4
I also cannot use the PM6 calcultion


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Mon Mar 19, 2012 4:14 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
vhsialab1 wrote:
I also cannot use the PM6 calcultion


Fixed, thenk you for notifying us.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Sat Apr 28, 2012 5:05 pm 

Joined: Mon Apr 16, 2012 6:50 pm
Posts: 4
I have one month subscription and cannot use PM6 for proteins "Subscription needed" How come?!!!!!!!!!!!!!!!!!


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Sun Apr 29, 2012 9:17 am 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
pharmaco19 wrote:
I have one month subscription and cannot use PM6 for proteins "Subscription needed" How come?!!!!!!!!!!!!!!!!!

Please try it out now.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Tue Jul 25, 2017 5:31 pm 

Joined: Thu Jul 20, 2017 4:56 am
Posts: 6
Hi, I too, have a subscription (33 days) and cannot utilize PM6 for calculating proteins.

Email (siddhartha_kundu@yahoo.co.in)


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Fri Jul 28, 2017 12:53 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
Fixed, thanks for reporting.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Sun Aug 13, 2017 1:53 am 

Joined: Thu Jul 20, 2017 4:56 am
Posts: 6
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?


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Thu Aug 17, 2017 12:24 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
You don't have to restart the calculation, only the make_result_table step.


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 Post subject: Re: Cannot use PM6 for proteins
PostPosted: Thu Feb 15, 2018 12:39 pm 

Joined: Sun Feb 04, 2018 11:00 pm
Posts: 3
Hi,

I have a one-month subscription and am unable to use PM6 for protein setup. It works fine for ligand setup.

Thank you.


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