[Chimera-users] multiple small molecule overlay

Tyler St Denis tstdenis at berkeley.edu
Tue Feb 15 10:38:38 PST 2022


Hello, 

I have had success overlaying two small molecules in chimera by using the following process and using the "match sel" command in the command line. Each molecule I want to compare has 3 similar nitrogens

http://plato.cgl.ucsf.edu/pipermail/chimera-users/2014-August/010205.html


Though this process works for overlaying two small molecules, it does not work for a third. The first error I received indicates "an odd number of atoms has been selected." Clearly the 'match sel' command works by comparing pairs of homologous atoms -- is there a way to expand this 'pair' to a larger set (e.g. triplets) to multiple small molecules? 

Thanks! 

Tyler 
_______________________
Tyler G. Saint-Denis, Ph.D.
Postdoctoral Fellow 
T. Don Tilley,  Ph.D. Laboratory 
College of Chemistry
University of California, Berkeley 

tstdenis at berkeley.edu
914-462-1954 
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