[Chimera-users] Atom distances

[Eric Pettersen]

On Mar 3, 2012, at 9:58 AM, Elaine Meng wrote:

> If you're a coder, it could be done with Python scripting, which is  
> beyond my skill set.

I've attached a script that reports (to the reply log) atom pairs  
separated by between 5.5 and 5.6 angstroms within each model when the  
script is run.  Run the script by opening it with File->Open.  The two  
distance values are at the top of the file so it's simple to change  
them as desired.  Keep in mind that this is an N-squared algorithm, so  
will takes between seconds and minutes for larger structures.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu

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