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Re: [IMP-users] pdb to restrains



On 8/28/12 1:08 PM, Adhikari, Badri (MU-Student) wrote:
Can we read a pdb structure and extract restrains from the pdb?

Is there a way by which we can convert pdb structures to restrain and
then sample/construct structures back from just the restrains produced?

A PDB file doesn't contain any restraints - just coordinates. But you could certainly measure whatever kind of structural feature you like (for example, a CA-CA distance) and create a restraint using that measurement as the mean (it's up to you to determine the force constant though).

	Ben
--
                      http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle