Dear all,

I am currently working on structure of a protein complex and am trying to 
identify the sequence of a protein chain (24mer) that hasn't been 
seen/described before. Thankfully, the map is good enough allowing me to 
identify two positions along this chain to which I can model in larger residues 
with a high degree of confidence, allowing me to identify a potential sequence. 
However, to use a more unbiased approach I decided to check all possible 
sequences that match the pattern of this 24mer, i.e. the number of residues 
between the two positions as well as allowing for a randomisation of these two 
positions with other large residues that could potentially fit.


I have all the potential sequences that match this patter and now I would like 
to write a script in coot that allows me to loop over all possible sequences 
and:

(1) read the coordinates of a polyAla mock chain with the correct coordinates

(2) simple mutate the chain to one of the identified possible sequences

(3) save the new coordinates as a pdb file

(repeat)


I'm usually quite happy to read up and figure things out by myself, however 
I've never scripted in coot before and am a bit under a time pressure, which is 
why I'm reaching out to the community.


Any advice and/or info would be appreciated.


Best wishes,

Karim
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Karim Rafie; PhD, AMRSC
Postdoctoral Research Fellow
Carlson Lab
Department of Medical Biochemistry and Biophysics
Umeå University
Umeå / Sweden

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