[Chimera-users] Volume subtraction of surface area between homology model and template

Kovacs, Nicholas (CDC/DDID/NCIRD/ID) pgv8 at cdc.gov
Tue Jul 6 08:54:13 PDT 2021


Hello,

I have a homology model that I have made and I would like to create a visual that portrays small surfaces where there is change in the solvent accessible surface area of the homology model compared to the template structure. I am trying to use the "subtract" map from map calculation which requires volume data for the 2 structures. I have tried the following to generate volume data and then subtract the volumes, but I am getting hundreds of small surfaces all throughout the area of the molecule:

molmap #1 3
molmap #2 3
volume subtract #3 #4

I know molmap is likely not the command I want to be using since I am interested in the solvent accessible surface area but I have yet to find a command that will generate a volume corresponding to the volume enclosed by the solvent accessible surface area. I would greatly appreciate it if someone could help me find a way to create 2 volumes enclosed by the solvent accessible surface area of the 2 structures in addition to correctly configuring the "volume subtract" command to get my desired output.

Thank you,
Nick

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