12 Jun
2012
12 Jun
'12
8:58 a.m.
Hi, can you tell me how the energy value olde in the example script http://salilab.org/modeller/manual/node264.html (olde, dstate) = self.energy(state) is calculated? For an restraints file with N (physical.bond, physical.ca_distance, ...) entries in it, how does the formula look like: sum_i^N log(rsr_i), where rsr_i is defined as in http://salilab.org/modeller/manual/node469.html? Are there any scaling factors?
Best regards Armin