ClusCo: Clustering and Comparison of Protein Models

Michał Jamróz, Andrzej Koliński


Source code license: few (but open, check COPYING* files).
Report any bug to jamroz AT
Full text: BMC Bioinformatics 2013, 14:62 doi:10.1186/1471-2105-14-62

26/02/13 update: clusco-0.3 ALPHA (hierarchical clustering not working!!): NEW much faster K-means clustering (on GPU) and data reduction by very fast redsvd method. (read about redsvd here) stable version in 1-2 weeks. Speedup: 32000 models of 1thx_ from BMC paper: old version 7 minutes, current 0.3 version - 2:16 min (4CPU+1GPU) - CALIBUR takes 64 minutes.
9/10/12 update: pick.cpp code for selecting of models with Δ from pdb trajectory
10/10/12 update: get from_tra.c get particular model from multimodel pdb file

Laboratory of Theory of Biopolymers 2013