[Biopython] SVDSuperimposer()

[João Rodrigues]

Hey George,

What do you mean by bottleneck? In terms of speed?

You can always use Profit for example to calculate RMSDs between the
models. It's a bit faster than our module.

Cheers,

João


2014-04-11 17:58 GMT+02:00 George Devaniranjan <devaniranjan at gmail.com>:

> I was wondering if there is a faster way to do the following.
>
>
> I am minimizing a protein structure and one of the 'measurements" is that
> the minimized structure be as close to the starting value as possible.
>
>
> Currently I use SVDSuperimposer.SVDSuperimposer() to calculate the RMSD
> difference.
>
>
> When I checked the various "energy terms" that are used to evaluate the
> structure I find that the bottleneck is
> indeed SVDSuperimposer.SVDSuperimposer().
>
>
> Is there a way to do this more efficiently ?
>
>
> Thank you
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