Chimera - quantitative possibilities using surfnet?
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I am wondering if it is possible to get numerical values for areas / volumes of molecular cavities and indentations drawn by surfnet in either the Interface or Selected Atoms mode. Any help is appreciated. - Miriam Gochin
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Hi Miriam, You can use the Measure and Color Blobs tools to get areas and volumes of connected surface blobs produced by Surfnet. It is found under Tools / Surface&Binding Analysis. You'll need a newer version of Chimera than the production release. Get a daily build or snapshot: http://www.cgl.ucsf.edu/chimera/alpha-downloads.html http://www.cgl.ucsf.edu/chimera/download.html#snapshots Tom
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Tom already answered the question perfectly... I just wanted to mention a related feature: If your structure is in the CASTp database, you can get pre-computed pocket surface areas, volumes, etc. in a very convenient form within Chimera. This also requires a recent version of Chimera. The drawback is that not all structures are in the CASTp database. CASTp fetch is one of the options in File... Fetch by ID, or you can do it with the "open" command, e.g.: open castp:4enl or open castp:2gbp http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/castp.html Elaine On Jun 5, 2008, at 9:37 AM, Tom Goddard wrote:
Hi Miriam,
You can use the Measure and Color Blobs tools to get areas and volumes of connected surface blobs produced by Surfnet. It is found under Tools / Surface&Binding Analysis. You'll need a newer version of Chimera than the production release. Get a daily build or snapshot:
http://www.cgl.ucsf.edu/chimera/alpha-downloads.html
http://www.cgl.ucsf.edu/chimera/download.html#snapshots
Tom
participants (3)
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Elaine Meng
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mgochin@touro.edu
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Tom Goddard