Calculating Solvent Accessible Surface of individual residue in a model

Hi Meng, I would like to find out if I can use Chimera to calculate the solvent accessible surface(SAS) of each residue in a model..? I would like to find out, basically, if I show the surface of the molecule, which are the residues buried (SAS = 0) and which are the ones contributing to the surface contour (SAS > 0). Thanks! =] Cheers, Sumitro Institute for Infocomm Research disclaimer: "This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you."

Hi Harjanto, Yes, it is automatically calculated as soon as you show a surface. SAS and SES areas are "attributes" of atoms and residues. After you show a surface, you can see histograms of the values and save them to a file using Render by Attribute (under Tools... Structure Analysis). <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#...> You can select just the residues with some range of SAS values using Select by Attribute, which is another part of that same tool. <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#...> Please see this previous post for more details: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/2010-October/005693.html> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Dec 9, 2010, at 11:07 PM, Sumitro Harjanto wrote:
Hi Meng, I would like to find out if I can use Chimera to calculate the solvent accessible surface(SAS) of each residue in a model..? I would like to find out, basically, if I show the surface of the molecule, which are the residues buried (SAS = 0) and which are the ones contributing to the surface contour (SAS > 0). Thanks! =] Cheers, Sumitro

Hi Sumitro, I made a Chimera video tutorial showing how to determine which residues are on the surface. http://www.cgl.ucsf.edu/chimera/videodoc/surfaceresidues/index.html Tom
Hi Meng,
I would like to find out if I can use Chimera to calculate the solvent accessible surface(SAS) of each residue in a model..? I would like to find out, basically, if I show the surface of the molecule, which are the residues buried (SAS = 0) and which are the ones contributing to the surface contour (SAS > 0).
Thanks! =]
Cheers,
Sumitro
Institute for Infocomm Research disclaimer: "This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you."
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participants (3)
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Elaine Meng
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Sumitro Harjanto
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Tom Goddard