Subject: Re: [IMP-users] Sampling and writing to pym/rmf
From: Ben Webb <>
Date: Tue, 01 Jul 2014 15:58:59 -0700
Reply-to: Help and discussion for users of IMP <>
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
--
http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle