1 Jul
2014
1 Jul
'14
3:58 p.m.
On 7/1/14, 2:40 AM, Josh Bullock wrote: > Essentially all i'm trying to do is generate an ensemble of models made > from four subunits - constrained by MS connectivity restraints. The > models get scored but nothing seems to write to the pymol file. Ideally > i'd like to write to an .rmf but i haven't worked that one out either ...
Most likely none of the attempts generated an acceptable model (i.e. with all restraints below the maximum values). Either your set of restraints is nonsensical (so they can't be satisfied) or you need to tweak the "magic numbers" in the script to give the optimizer more time to satisfy them.
Ben
--
ben@salilab.org http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle