On Mar 3, 2010, at 9:25 AM, Jozef Lewandowski wrote:
Moreover, I am ultimately interested in the sum of all reported distances (or more specifically sum of (1/r)6 where r is the distance). Is there simple way to get this value calculated in Chimera (e.g. simple script)? Unfortunately, I have no idea about Python coding, so right now I have to import the list to Excel and calculate what I need in there (which is fine for a few atoms but slightly tedious when you have to check several hundred of them...). Any help would be appreciated.
Hi Jozef, I appended a script that if you've created pseudobonds for the contacts (which is the default) will sum the inverse of the sixth power of their lengths and print the result to the reply log. Run the script by opening it with File...Open or with the "open" command. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu