On Aug 31, 2016, at 3:02 AM, Healey, Joe <J.R.J.Healey@warwick.ac.uk> wrote:

Hi,

I have several hundred structure simulations that were performed on our HPC resource. Each simulation has approximately 5 models associated with it. I also have HMM model homologies for each of these proteins.

I would like to use chimera's matchmaker function to compare the simulated structured to their nearest 'real' counterpart with a resolved structure. In order to do this I plan to script chimera to pull in the simulated models as well as the near homolog and then run the matchmaker algorithm.

My question is: can the RMSD value that is returned in the reply log be 'accessed directly' such that for each match that is performed, I can obtain the RMSD and thus a ranking for the best fitting structures - or will it require parsing the reply log?

Thanks

Joe Healey

                                       

M.Sc. B.Sc. (Hons)

PhD Student

MOAC CDT, Senate House

University of Warwick

Coventry

CV47AL
Mob: +44 (0) 7536 042620  |  Email: J.R.J.Healey@warwick.ac.uk

Jointly working in:

Waterfield Lab (WMS Microbiology and Infection Unit)

and the Gibson Lab (Warwick Chemistry)

Twitter: @JRJHealey  |  Website: MOAC Page

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