Coloring by Delphi potential in Chimera
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Hi Zach, DelPhiViewer got removed because other tools can do the same things in a more general and flexible way. Unfortunately in the latest snapshot (1.2129, June) it is confusing to get to these newer features, but they are all there, and I'll explain how. I'll assume you are using that latest snapshot and that you have an electrostatic potential file in the format from DelPhi. ------------------- First, open the electrostatic potential file with File... Open. If the file is named ending in .phi you can set the File type to "all (guess type)" or "DelPhi or GRASP potential". This will automatically start Volume Viewer. (A) IF you want to look at contour (isopotential surfaces), keep using Volume Viewer. Open the Volume Viewer man page by clicking the Help button on the dialog. You probably want to go to the "Surface or Mesh" section of the man page, under "Display Panel". Otherwise... (B) IF you want to color the molecular surface or GRASP surface based on the potential, click the Unshow button on Volume Viewer and then the Close button on Volume Viewer. Open the molecule and show its surface that you want to color, or open the GRASP surface you want to color (this can also be opened with File... Open). The tool for coloring a surface by potential is Surface Color (Tools... Surface/Binding Analysis... Surface Color). Pick the surface of interest from the menu next to "Color surface" and choose the electrostatic potential data from the menu next to "Using volume data or geometry". You probably want to change the "Color scheme" to "3 color symmetric" - then you have something similar to the DelPhiViewer surface coloring interface. Click the Help button on the Surface Color dialog if you want to see the man page. -------------------- We realized this is pretty confusing and have tried to make it better (and the improvements will show up in the next release). The improvements are that you will be able to color a surface according to electrostatic potential by choosing Tools... Surface/Binding Analysis... Electrostatic Surface Coloring, and then you can open the electrostatic potential using a Browse button on that tool (avoiding Volume Viewer entirely). It will also start with the 3-color scheme when opened this way. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html
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Elaine Meng