[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,
Navnit
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