Hi zjnjuct;

Everything is in Modeller. Look at the COMPARE or SUPERPOSE commands.

Good luck; Eric

------------------------------------ Dr Eric Feyfant Computational Chemist Department of Biological Chemistry Wyeth Research 85 Bolton St. Cambridge, MA 02140 tel: +1 617 665 8987 fax: +1 617 665 8993 email: efeyfant@wyeth.com

>>> zjnjuct zjnjuct@yahoo.com 01/22/03 01:20AM >>>

Dear friends,

I have a question regarding to the conformation change of a protein, say protein's conformation at different temperatures, different solvent environments, and the difference between a potein conformation in bulk water solution and the potein conformation on surfaces...

As I know, RMSD, is potentially one of the properties to represent that. But how to calculate that? Anyone can provide me the subroutine for calculating this property?

Or we may superimpose the two structures to have a comparison.

Any other properties? Or software, free package, helpful websites and any other suggestion?

Thank you very much for your reply.

zjnjuct

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