Hello all,
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?
Sincerely, Badri Adhikari CS Graduate Student, University of Missouri-Columbia, Columbia, Missouri BAP54@mail.missouri.edumailto:BAP54@mail.missouri.edu
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
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Adhikari, Badri (MU-Student) -
Ben Webb