Article ID: 501 - Last Modified: May 12, 2011
Is it possible to color-code the Connolly (molecular) surface by calculated hydrophobicity?
Some options that can roughly approximate this coloring in Maestro are as follows. They are not quite the same as coloring each atom and its corresponding surface by phobic/philic potential, but the last of these is the closest.
- Create a molecular (Connolly) surface and color it by Property → Residue Property.
- Color all atoms by Hydrophobicity (Li-Tang-Wingreen, Kyte-Doolittle, or Black-Mould methods), then create the Connolly surface and color it by Property → Atom color.
- Create hydrophobic/philic surfaces first and then create a molecular surface. Color the latter by using "Map values from volume data" from the former.
Keywords: hydrophobicity , color-coding of surfaces ,conolly surface
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