[Chimera-users] BIOMT symmetry matrices

[Healey, Joe]

Hi Elaine,


Thanks for getting back to me, I didn't realise it was as simple as that, though it turns out I may have been barking up the wrong tree somewhat.


I assumed more of the structures I was using had symmetry information than it appears they do, as they are EM resolved generally (and are C6 symmetrical).


I would expect I could achieve what I want with C6 symmetry, but as you can see in the images I've attached, the C6 symmetry is 'inside out', relative to the reference structure I'm trying to replicate. It looks like I need to specify a different axis of symmetry, but to also tell it to 'flip' how the molecules are being placed.


Here is my model in blue fitted well to a subunit of this structure (PDBID 1Y12)

[cid:c873ee63-b463-4526-b205-d767b2d8a803]
I'm trying to replicate this donut shape, but it seems the model has no symmetry information I can use (sym #1 group #0 won't work , if #0 is the reference structure).


This is what I get from sym #1 group C6, hopefully you can understand what I'm getting at.


[cid:3a1bfeea-8b2c-40b2-92cb-ff7e3ee0761a]
I've attached the model I'm trying to position if you have any thoughts about how to achieve this.


Hopefully there's a programmatic solution as I'll be intending to do this a number of times.



Many thanks - I hope I've explained myself clear enough!


Joe


Joe Healey


M.Sc. B.Sc. (Hons) MRSB
PhD Student
MOAC CDT, Senate House
University of Warwick
Coventry
CV47AL
Mob: +44 (0) 7536 042620  |  Email: J.R.J.Healey at warwick.ac.uk

Jointly working in:
Waterfield Lab<http://www2.warwick.ac.uk/fac/med/research/tsm/microinfect/staff/waterfieldlab/> (WMS Microbiology and Infection Unit)
and the Gibson Lab<http://www2.warwick.ac.uk/fac/sci/chemistry/research/gibson/gibsongroup/> (Warwick Chemistry)

Twitter: @JRJHealey<https://twitter.com/JRJHealey>  |  Website: MOAC Page<http://www2.warwick.ac.uk/fac/sci/moac/people/students/2013/joseph_healey> | ORCID: orcid.org/0000-0002-9569-6738
________________________________
From: Elaine Meng <meng at cgl.ucsf.edu>
Sent: 18 April 2018 18:15:36
To: Healey, Joe
Cc: chimera-users at cgl.ucsf.edu
Subject: Re: [Chimera-users] BIOMT symmetry matrices

Hi Joe,
Besides the “group biomt” option of “sym,” there is also “group #N” where N is the model number of another model.
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/sym.html#options>

However, I believe you would need to match your structure onto model N pretty well before using that.
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Apr 18, 2018, at 9:43 AM, Healey, Joe <J.R.J.Healey at warwick.ac.uk> wrote:
>
> Hi Chimera Team,
>
> I'm familiar with the sym command within chimera, specifying particular degrees of rotational symmetry for instance.
>
> As the biological unit feature tends to work quite nicely for this for a number of the proteins that I'm working on, I was wondering if there is a simple way to apply the BIOMT matrix for one protein to another?
>
> The proteins I want to apply them to are homology models of the equivalent proteins, so their biological unit information should be meaningful.
>
> If its possible to do this in chimera that would be great, but if you have any alternative suggestions (perhaps its possible to copy the BIOMT lines from one PDB text file to another?
>
> Joe Healey
>

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