Re: [ccp4bb] RMSD calculation for large assemblies

2017-12-02 Thread Smith Liu 
how about mean square deviation of the rmsd of each c alpha？





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Smith Liu
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在2017年12月02日 22:48，Reza Khayat 写道：

Hi,





I'm analyzing the RMSD between 60 subunits of a virus. Can someone identify a 
program that can generate a spread for the RMSD between equivalent C-alpha 
atoms? For example, the C-alpha atom for amino acid 39 may have RMSD values 
from 0.1 to 1.5. Coot does a nice job of automatically detecting and 
calculating RMSD, but I'd like to have the spread for each atom in the final 
graph that Coot generates. Thank you.




Best wishes,
Reza 





Reza Khayat, PhD
Assistant Professor 
City College of New York
Department of Chemistry
New York, NY 10031

[ccp4bb] RMSD calculation for large assemblies

2017-12-02 Thread Reza Khayat 
Hi,


I'm analyzing the RMSD between 60 subunits of a virus. Can someone identify a 
program that can generate a spread for the RMSD between equivalent C-alpha 
atoms? For example, the C-alpha atom for amino acid 39 may have RMSD values 
from 0.1 to 1.5. Coot does a nice job of automatically detecting and 
calculating RMSD, but I'd like to have the spread for each atom in the final 
graph that Coot generates. Thank you.


Best wishes,
Reza


Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031