[chimera-dev] calculate volume major blob

[Tom Goddard]

Hi JD,

  I've attached a Chimera Python script that calculates the volumes of 
each connected piece of a surface and deletes all but the largest piece.

    Tom

> Dear all,
>
> I need to do the work for thousands of structures, so Iam interesting in a scripting solution here. 
>
> After a surfnet calculation on a given atom selection, my script select the whole surface model and calculates the volume of the all bunch. However, I'd like to have the volume of the major blob only. 
>
> On the other hand, for a given number of structures, I would like to remove all minor blobs blobs so that only the major one remains on the screen. How could I do this second step?
>
>
> All  the best,
> JD
>
>
>
> Dr. Jean-Didier Maréchal
> Lecturer
> Computational Biotechnological Chemistry @ Transmet
> Unitat de Química Física
> Departament de Química
> Universitat Autònoma de Barcelona
> Edifici C.n.
> 08193 Cerdanyola (Barcelona)
>   

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