clustQ is a highly efficient superposition-free approach to protein decoy clustering based on weighted internal distance comparisons scheme. We developed a novel decoy-native similarity metric called WQ-score that is calculated based on weighted internal distance comparisons at four different sequence separations. Higher weights are assigned to residues far away from each other in the sequence because long-range interactions tend to carry more information about the overall protein fold than local short-range interactions. clustQ relies on WQ-score based multi-model pairwise comparisons for rapid clustering of large number of protein decoys.



clustQ on-line (example output)
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clustQ download


• Click clustQ.cpp to download the the source code of clustQ in C++. You can compile the program in your Linux system by:

 > g++ -o clustQ clustQ.cpp

• Click clustQ to download the executable program for 64-bit Linux system.



References:

Alapati, R., Bhattacharya, D. (2018) clustQ: Efficient Protein Decoy Clustering Using Superposition-free Weighted Internal Distance Comparisons. ACM-BCB, Washington, D.C. USA. [PDF]