Sorry, I was wrong about using STDEV in Excel. Instead you would need to put in a formula to calculate the root mean square of your distances. On Tuesday, 17 September 2019, 15:14:02 BST, Jonathan Cooper <[email protected]> wrote: I think LSQKAB can output a list of CA distances of two structures. Might be easier to fit them first in Coot since LSQKAB can be a pig to run and you may have to use the command line. You could then select the region(s) you are interested in and use a spreadsheet or a script to calculate the RMSD. I think it will only be meaningful if the loops being compared are the same length in both structures? If it is only one loop you could measure the CA-distances in Coot and plug them into Excel for a quick STDEV.
Sent from Yahoo Mail on Android On Tue, 17 Sep 2019 at 14:42, Kyle Gregory<[email protected]> wrote: #yiv2001353542 P {margin-top:0;margin-bottom:0;}Hi all, What is the best/easiest way to calculate RMSD of a loop for 2 c-alpha aligned structures? Thought I could do this in Coot but I only see this if I align the specific loops, which I don't want to do. Thanks, Kyle To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
