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error
https://www.dockingserver.com/forum/viewtopic.php?f=2&t=91
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Author:  rita.pizzi [ Fri Jan 11, 2013 1:31 pm ]
Post subject:  error

Halllo, may I know what kind of problem got error in my MT submission ?
Thanks,

Rita

Author:  bikadi [ Sun Jan 13, 2013 8:04 am ]
Post subject:  Re: error

We need the error message you got to be able to help.

Author:  rita.pizzi [ Sun Jan 13, 2013 8:22 am ]
Post subject:  Re: error

bikadi wrote:
We need the error message you got to be able to help.


Sorry, I don't see any error message:

Calculating protein charges and solvatation parameters – error [Restart]
Create protein snapshot – done [Restart]
Protein clean – done [Restart]


Thanks,

rp

Author:  hazaie [ Thu Jan 17, 2013 8:10 am ]
Post subject:  Re: error

Please send me a link to this page where this error message appears.

thanks

Author:  rita.pizzi [ Thu Jan 17, 2013 1:47 pm ]
Post subject:  Re: error

http://www.dockingserver.com/web/dockin ... ns/179757/?

this is the page. Where you read "computing" there war "error", but I refreshed. However, as I could not understand what to change, after computing there will be error again.

Thanks,

Rita

Author:  bikadi [ Sat Jan 19, 2013 11:33 am ]
Post subject:  Re: error

Hi,

it is a fantastic structure, I have never seen anything like this. However, it is not possible to carry out molecular docking in such an extremely huge space composed by over 100 protein chains. As I see 3 different chains compose this huge structure - you should select only 3 chains in the first, protein cleaning step and go further with that minimal structure.

Best Regards,
Zsolt

Author:  rita.pizzi [ Mon Jan 21, 2013 4:50 pm ]
Post subject:  Re: error

Thank you, I understand the issue. I am glad that you liked it ! The problem is that it seems that the minimal structure (tubulin) behaves differently from the tubular composite one (microtubule), and the research is devoted to study this difference.
I know that it too huge, I just tried :roll: . Thank you very much for your support,

Rita


bikadi wrote:
Hi,

it is a fantastic structure, I have never seen anything like this. However, it is not possible to carry out molecular docking in such an extremely huge space composed by over 100 protein chains. As I see 3 different chains compose this huge structure - you should select only 3 chains in the first, protein cleaning step and go further with that minimal structure.

Best Regards,
Zsolt

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