[Chimera-users] Calculating AreaSES/AreaSAS without a molecular surface?

Tom Goddard goddard at sonic.net
Wed Sep 27 11:37:38 PDT 2017


Hi Oliver,

  The Chimera solvent accessible and solvent excluded surface area calculations are done by the MSMS surface calculation code, so if it fails you cannot get those numbers.  The secret “grid” option in Chimera does not allow computing areas.

   ChimeraX computes the areas analytically (command “measure sasa”) and does not create a surfaces (and the ChimeraX surface calculation never fails).

	Tom


> On Sep 27, 2017, at 11:20 AM, Oliver Clarke wrote:
> 
> Hi,
> 
> Is it possible to calculate the areaSES/areaSAS attributes without a molecular surface? For most large complexes, it is only possible to calculate surfaces using the `grid option` (because msms fails), but this does not automatically generate the SES/SAS attributes.
> 
> Cheers
> Oli
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