CCL: W:Rank structure models
- From: "Len Salgado" <leon_salga|-|yahoo.com>
- Subject: CCL: W:Rank structure models
Sent to CCL by: "Len Salgado" [leon_salga%a%yahoo.com]
I've been doing protein-protein docking calculations, and let's call to the
protein complexes obtained, the basic units. My final goal is to build a
supramolecular structure with these basic units. The only restraint
experimentally determined, defines de distance between the centre of 2 basic
These supramolecular structures, could be produced by a docking procedure (and
ranked accordingly), but since these structures have some thousands of residues,
I've thought on obtaining them "manually", by mean of rigid
rotation/translation operations on 3D space. I'm only interested on obtaining a
crude view of the supramolecular protein structure, but nevertheless, want to
charaterize and rank the set of supramolecular structures that I'm going to
My question is.
Is there a way to rank different structure models? Is there any
software/methodology which reads a set of similar structures, and ranks them by
energy, for example?
Any insights will be valuable.