Hello Everyone There's probably an easy way to do this, but I haven't found it.
I've refined a 1.1 A structure with refmac and want to inspect the thermal ellipsoids. Specifically I want to know if any of them are non-positive definite and I want to know which have very large anisotropy. (I can look at them in coot, but I'd like to have a list). I'm concerned because I get messages in the refmac log file - problem with make u positive and I want to know what the cause of the error messages. I thought anisoanl would be the most likely program, but it doesn't seem to do it. (Perhaps I'm using the program wrongly.) Thanks Sue Dr. Sue A. Roberts Dept. of Chemistry and Biochemistry University of Arizona 1041 E. Lowell St., Tucson, AZ 85721 Phone: 520 621 8171 s...@email.arizona.edu http://www.biochem.arizona.edu/xray
