[Chimera-users] calculation of volume

Navnit Kumar Mishra navnit at chemi.muni.cz
Wed Aug 13 07:56:56 PDT 2008

Hello all;

I am trying to compute the molecular volume of a complex. Chimera first 
computes solvent-excluded surface area using MSMS. I see it does not 
compute the surface area of ligand. I am wondering if I can add the 
extra parameters or atom types for my ligand in some file. I would like 
to calculate the molecular volume from amber trajectory. Can some one 
suggest me how to automate the computation of surface area and molecular 
volume for each snapshot. If you know, please point out the article 
which describes the procedure for the volume calculation.

with regards,

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