Matrix: Williams/pdb1HYS

Description: Protein: protein data bank 1HYS. Williams et al.

Williams/pdb1HYS graph
(undirected graph drawing)


Williams/pdb1HYS

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  • Matrix group: Williams
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  • download as a MATLAB mat-file, file size: 26 MB. Use UFget(2373) or UFget('Williams/pdb1HYS') in MATLAB.
  • download in Matrix Market format, file size: 18 MB.
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    Matrix properties
    number of rows36,417
    number of columns36,417
    nonzeros4,344,765
    # strongly connected comp.1
    explicit zero entries0
    nonzero pattern symmetrysymmetric
    numeric value symmetrysymmetric
    typereal
    structuresymmetric
    Cholesky candidate?yes
    positive definite?yes

    authorS. G. Sarafianos et al
    editorS. Williams, L. Oliker, R. Vuduc, J. Shalf, K. Yelick, J. Demmel
    date2008
    kindweighted undirected graph
    2D/3D problem?no

    Notes:

    Matrices used by S. Williams et al for sparse matrix multiplication on GPUs.   
                                                                                   
    14 matrices were used in the following paper:                                  
                                                                                   
        S. Williams, L. Oliker, R. Vuduc, J. Shalf, K. Yelick, J. Demmel,          
        "Optimization of Sparse Matrix-Vector Multiplication on Emerging Multicore 
        Platforms", Parallel Computing Volume 35, Issue 3, March 2009, Pages       
        178-194.  Special issue on Revolutionary Technologies for Acceleration of  
        Emerging Petascale Applications.                                           
                                                                                   
        https://hpcrd.lbl.gov/~swwilliams/research/papers/parco08_spmv.pdf         
        http://dx.doi.org/10.1016/j.parco.2008.12.006                              
                                                                                   
    This same set of 14 matrices was also used in a subsequent technical report by 
    NVIDIA:                                                                        
                                                                                   
        http://www.nvidia.com/object/nvidia_research_pub_001.html "Efficient Sparse
        Matrix-Vector Multiplication on CUDA" Nathan Bell and Michael Garland, in, 
        "NVIDIA Technical Report NVR-2008-004", December 2008                      
                                                                                   
    file            Name            dim*    nnz     description                    
                                                                                   
    dense2          Dense           2K      4.0M    dense matrix in sparse format  
    pdb1HYS         Protein         36K     4.3M    protein data bank 1HYS         
    consph          FEM/Spheres     83K     6.0M    FEM concentric spheres         
    cant            FEM/Cantilever  62K     4.0M    FEM cantilever                 
    pwtk            Wind Tunnel     218K    11.6M   pressurized wind tunnel        
    rma10           FEM/Harbor      47K     2.37M   3D CFD of Charleston Harbor    
    qcd5_4          QCD             49K     1.90M   quark propagators (QCD/LGT)    
    shipsec1        FEM/Ship        141K    3.98M   FEM Ship section / detail      
    mac_econ_fwd500 Economics       207K    1.27M   Macroeconomic model            
    mc2depi         Epidemiology    526K    2.1M    2D Markov model of epidemic    
    cop20k_A        FEM/Accelerator 121K    2.62M   Accelerator cavity design      
    scircuit        Circuit         171K    959K    Motorola circuit simulation    
    webbase-1M      webbase         1M      3.1M    Web connectivity matrix        
    rail4284        LP              4Kx1.1M 11.3M   Railways set cover,            
                                                    constraint matrix              
                                                                                   
    (*) the matrix is square if only one dimension listed.                         
                                                                                   
    Six of the matrices are nearly identical to the matrices already in the        
    UF Collection.  They are thus not included in the UF Collection.  See          
    the README.txt file for this collection for details.                           
       I presume the pdb1HYS matrix comes from this source:                        
                                                                                   
       http://www.rcsb.org/pdb/explore.do?structureId=1HYS                         
       http://dx.doi.org/10.2210/pdb1hys/pdb                                       
       Crystal structure of HIV-1 reverse transcriptase in complex with a          
       polypurine tract RNA:DNA.                                                   
       Sarafianos, S.G., Das, K., Tantillo, C., Clark Jr., A.D., Ding,             
       J., Whitcomb, J.M., Boyer, P.L., Hughes, S.H., Arnold, E.                   
       Journal: (2001) EMBO J. 20: 1449-1461                                       
       PubMed: 11250910                                                            
       PubMedCentral: PMC145536                                                    
       DOI: 10.1093/emboj/20.6.1449                                                
       Search Related Articles in PubMed                                           
       PubMed Abstract:                                                            
       We have determined the 3.0 A resolution structure of wild-type HIV-1        
       reverse transcriptase in complex with an RNA:DNA oligonucleotide whose      
       sequence includes a purine-rich segment from the HIV-1 genome called the    
       polypurine tract (PPT). The PPT is resistant to ribonuclease... [ Read      
       More & Search PubMed Abstracts ] We have determined the 3.0 A resolution    
       structure of wild-type HIV-1 reverse transcriptase in complex with an       
       RNA:DNA oligonucleotide whose sequence includes a purine-rich segment from  
       the HIV-1 genome called the polypurine tract (PPT). The PPT is resistant    
       to ribonuclease H (RNase H) cleavage and is used as a primer for second     
       DNA strand synthesis.  The "RNase H primer grip", consisting of amino       
       acids that interact with the DNA primer strand, may contribute to RNase H   
       catalysis and cleavage specificity. Cleavage specificity is also            
       controlled by the width of the minor groove and the trajectory of the       
       RNA:DNA, both of which are sequence dependent. An unusual "unzipping" of 7  
       bp occurs in the adenine stretch of the PPT: an unpaired base on the        
       template strand takes the base pairing out of register and then, following  
       two offset base pairs, an unpaired base on the primer strand                
       re-establishes the normal register. The structural aberration extends to    
       the RNase H active site and may play a role in the resistance of PPT to     
       RNase H cleavage.                                                           
    

    SVD-based statistics:
    norm(A)352.394
    min(svd(A))9.97039e-10
    cond(A)3.5344e+11
    rank(A)36,411
    null space dimension6
    full numerical rank?no
    singular value gap137371

    singular values (MAT file):click here
    SVD method used:s = svd (full (A))
    status:ok

    Williams/pdb1HYS svd

    For a description of the statistics displayed above, click here.

    Maintained by Tim Davis, last updated 12-Mar-2014.
    Matrix pictures by cspy, a MATLAB function in the CSparse package.
    Matrix graphs by Yifan Hu, AT&T Labs Visualization Group.