PyRMSD: A Python package for efficient pairwise RMSD matrix calculation and handling

Bioinformatics

Volumn 29, Issue 18, 2013, Pages 2363-2364

  Gil, Víctor A ^a   Guallar, Víctor ^a,b  

^a BARCELONA SUPERCOMPUTING CENTER   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; COMPUTER LANGUAGE; COMPUTER PROGRAM; STATISTICAL ANALYSIS; ARTICLE;

ALGORITHMS; DATA INTERPRETATION, STATISTICAL; PROGRAMMING LANGUAGES; SOFTWARE;

EID: 84883474832     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btt402     Document Type: Article

References (6)

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2. Kabsch,W. (1978) A discussion of the solution for the best rotation to relate two sets of vectors. Acta. Crystallogr. A, 34, 827-828.
3. Karpen,M.E. et al. (1993) Statistical clustering techniques for the analysis of long molecular dynamics trajectories: Analysis of 2.2-ns trajectories of YPGDV. Biochemistry, 32, 412-420.
4. Luxburg,U. (2007) A tutorial on spectral clustering. Stat. Comp., 17, 395-416.
5. Phillips,J.L. et al. (2011) Validating clustering of molecular dynamics simulations using polymer models. BMC Bioinformatics, 12, 445.
6. Theobald,D.L. (2005) Rapid calculation of RMSDs using a quaternion-based characteristic polynomial. Acta. Crystallogr. A, 61, 478-480.