Re: [IMP-users] pdb to restrains

[Ben Webb <ben@salilab.org>]

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