Sreetama,

See the following URL whether it is
useful to solve your issue

http://cluster.physics.iisc.ernet.in/3dss/

best,

Sekar


> Dear all,
>            When calculating the RMSD between structures of homologous
> proteins, where there are large changes in the loop region(s), which RMSD
> should be reported - an overall value which may be inflated due to the
> deviations in the loops, or separate values for the core and loop regions?
> What is the best way to calculate the RMSD for superposition of the cores
> - should I prepare a separate PDB file by removing the coordinates of the
> loop residues and then superpose?
>
> Thanks in advance,
> Sreetama das,
> PhD student,
> Physics, IISc
>
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All best wishes and regards,

Yours sincerely,

Dr. K. Sekar, Ph.D.
Associate Professor
Supercomputer Education and Research Centre
Room No. 341, old Ecological Sciences Building (Second Floor)
Indian Institute of Science
Bangalore 560 012
INDIA

E-mail:    se...@physics.iisc.ernet.in
           se...@serc.iisc.ernet.in

Tel:       91-(0)80-22933059/22933060/23600551
Fax:       91-(0)80-23600085

Home page:      http://www.physics.iisc.ernet.in/~dichome/sekhome/index.html
Google Scholar: http://scholar.google.co.in/citations?hl=en&user=CT0Z5kIAAAAJ


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