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Average RMSD

Jinhai Gao gao at NMR1.BCH.MSU.EDU
Thu Jan 30 22:10:54 EST 1997


  I am trying to calculate the average pairwise-rmsd per residu for 20
nmr-structures and the average rmsd per residue between the
nmr-structure ensemble and x-ray structure. I know that x-plor can
calculate the average rmsd for the whole protein and can calculate the
rmsd per residue between two structures. but it is difficult to do the
average rmsd per residue for 20 structures. the "loop" in x-plor seems
difficult to do this. 

  Does anyone know how to calculate the average rmsd per residue, or
what kind of software can do this job?

  Thanks a lot!!

Jinhai Gao
Dept of Biochemistry
Michigan State University
East lansing, MI48823

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