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