Hi, Is there a simple way in IMP to compare (all vs all) and then cluster the x% best models obtained after optimization and evaluation?
Thanks Damien
**************** Damien Devos Center of Organismal Studies Ruprecht-Karls-Universitat Im Neuenheimer Feld 230 69120 Heidelberg, Germany
hi Damien -
One option, I am sure others have different/better solutions. In case your models are not all atoms, but general x-y-z particles, I found it easiest to run pairwise rmsd between all models and then export the results to MatLab and run hierarchical clustering.
Keren. On Aug 14, 2012, at 9:30 AM, damien.devos@cos.uni-heidelberg.de wrote:
> Hi, Is there a simple way in IMP to compare (all vs all) and then cluster the x% best models obtained after optimization and evaluation? > > Thanks > Damien > > **************** > Damien Devos > Center of Organismal Studies > Ruprecht-Karls-Universitat > Im Neuenheimer Feld 230 > 69120 Heidelberg, Germany > > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users