By experimentation, I have reached the following tentative conclusions regarding the way Jmol maps colors in its fixedTemperature and relativeTemperature color schemes:
http://www.proteopedia.org/wiki/index.php/Temperature_color_schemes That page has several examples and buttons that allow you (via hover reports: touch an atom with the mouse [don't click]) to ascertain what temperature value is mapped to white. 1. I have been unable to deduce how Jmol determines the white value for the relative temperature scheme. It is neither the average nor the median temperature value. Can someone enlighten me? 2. Are the conclusions in my first table correct? 3. Are these points documented somewhere? 4. From the examples in my second table, comparing resolution to the range and average temperature values, it appears to me that temperature values or B factors are absolute, rather than relative. If so, these values can be meaningfully compared between experiments. Are there any crystallographers reading this who care to comment? Thanks, -Eric ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
