[Biopython] superimposing problem

George Devaniranjan devaniranjan at gmail.com
Tue Dec 7 21:30:02 UTC 2010


Hello,
I already do that for connecting fragments -based on the Warwick code by
Peter but I want have a superimposition based on both the 1st and last
residue but the residues in the middle of 1st and last should only be
rot/tran and not superimposed.
I get the basic idea already as I use a similar principle to connect the
last residue of a fragment to a 1st one of another one to make a longer one
but here I want the 1st superimposed with 1st and last with last and not the
middle ones.

Looking at the code you have sent-mine is similar, the one I use to make
longer fragments joining 1st with last but not sure how to do this one.
Thank you,
George

On Tue, Dec 7, 2010 at 4:14 PM, João Rodrigues <anaryin at gmail.com> wrote:

> Hello George,
>
> From what I understood, what you want to be compare the diversity of two
> loops based on anchor points.
>
> Peter already pointed you to a great resource here<http://www2.warwick.ac.uk/fac/sci/moac/students/peter_cock/python/protein_superposition/>
> .
>
> To make it clearer, you should first define the residues you want to align
> (or the particular atoms) and then perform the alignment.
>
> For example, I wanted to align a loop in my protein so I defined the *
> resi_range* variable to restrict the alignment to those residues.
> Furthermore, I then made sure that I only used CA atoms with two for loops.
>
> Check the code here (http://pastebin.com/V2UsGYGL), might help you
> understand how it works.
>
> Best!
>




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