chadadavis / sbglib

Automatically exported from code.google.com/p/sbglib
0 stars 0 forks source link

General superposition of complexes #126

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago
But a general approach for complex superposition? Without alignments given:
  first do all-against-all superposition within one complex to get symmetry 
classes
  then to the same for the other complex
  then superpose everything in complex A class i to complex B class i
  extract the AA bijection from the stamp alignments
  do rmsd_class to try all symmetry combos and use the one with min rmsd

Original issue reported on code.google.com by chad.a.davis@gmail.com on 18 May 2010 at 8:35

GoogleCodeExporter commented 9 years ago

Original comment by chad.a.davis@gmail.com on 19 May 2010 at 3:14

GoogleCodeExporter commented 9 years ago

Original comment by chad.a.davis@gmail.com on 17 Jul 2010 at 10:23

GoogleCodeExporter commented 9 years ago
Robs suggests using the PINTS algo here.

Original comment by chad.a.davis@gmail.com on 19 Feb 2011 at 4:00

GoogleCodeExporter commented 9 years ago
Another shortcut:
Check that model topology (w mapping) is a subgraph of target ? 
This is not subgraph isomporphism, because the mapping is given, i.e. as one 
iterates through all possible mappings.

Original comment by chad.a.davis@gmail.com on 22 Feb 2011 at 10:01

GoogleCodeExporter commented 9 years ago
multi-level complex alignment, 

first just RMSD of cofm, if it passes, then c-alpha rmsd, etc

Original comment by chad.a.davis@gmail.com on 19 Oct 2011 at 3:38