Re: [Jmol-users] Protein backbone superimposition

[Robert H. <ha...@st...>]

On Wed, Apr 27, 2022 at 11:36 AM David Leader <Dav...@gl...>
wrote:

>
> compare {2.1} {1.1} ATOMS {~Achain} {~Bchain} ROTATE TRANSLATE
>
> …but all I get is: RMSD NaN --> NaN Angstroms
>
>
>
This indicates that there is not a match between the number of atoms in
~Achain and ~Bchain. Check:

select ~achain

and

select ~bchain

Maybe those numbers are not the same. I don't see a second model. (I guess
your 1cr6 file is different from mine?)

[image: image.png]
load =1cr6
achain = {(4-19,48-63,90-544) and *:A.CA}
bchain = {(4-19,48-63,90-544) and *:B.CA}
compare {:A} {:B} atoms {achain} {bchain} translate rotate
color {:A} yellow
color {:B} red



> David
>
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>
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> Boyd Orr Building,
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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