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 Post subject: Interaction Table
PostPosted: Fri Jun 26, 2009 8:04 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 17
Is there a way to get the distances of those interactions listed on the table?

Thanks


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 Post subject: Re: Interaction Table
PostPosted: Sat Jun 27, 2009 1:37 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 199
You can do it manually right now at the Rendering tab by right-clicking and selecting distance measurement command. Additionally, they are listen in the attached .nb2 file. However, it is a good idea, and we will implement it in the near future.


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 Post subject: Re: Interaction Table
PostPosted: Thu Oct 29, 2009 10:21 pm 

Joined: Wed Oct 28, 2009 8:24 pm
Posts: 1
Excuse me,
It's frist time i use a forum.
But, wath mean the codes in the results in interaction table?

For example:

HIDROPHOBIC INTERACTIONS
C7(20) TRP229
[3.56] - (CD2,CD3,CG)

Thanks for your help!!!


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 Post subject: Re: Interaction Table
PostPosted: Sat Oct 31, 2009 9:24 am 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 199
hello,

C7(20) - atom name and number in the ligand

TRP229 [CD2, CD3, CG] - residue name, number and [atom names] within 4 Angstrom from the given ligand atom

3.56 - lowest interatomic distance between the given ligand atom and the residue.

Sincerely,
Zsolt


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