soedinglab / CCMpred

Protein Residue-Residue Contacts from Correlated Mutations predicted quickly and accurately.
http://www.ncbi.nlm.nih.gov/pubmed/25064567
GNU Affero General Public License v3.0
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Input augment #29

Closed TaoDFang closed 4 years ago

TaoDFang commented 4 years ago

Hi,

Thanks for sharing the code. May I ask what are options for input arguments? Like how I can set number of threads?

Best,

croth1 commented 4 years ago

Use./ccmpred -h to see all options:

Usage: ./bin/ccmpred [options] input.aln output.mat

Options:
    -t THREADS  Calculate using THREADS threads on the CPU (automatically disables CUDA if available) [default: 1]
    -n NUMITER  Compute a maximum of NUMITER operations [default: 50]
    -e EPSILON  Set convergence criterion for minimum decrease in the last K iterations to EPSILON [default: 0.01]
    -k LASTK    Set K parameter for convergence criterion to LASTK [default: 5]

    -i INIFILE  Read initial weights from INIFILE
    -r RAWFILE  Store raw prediction matrix in RAWFILE
    -b BRAWFLE  Store raw prediction matrix in msgpack format in BRAWFLE

    -w IDTHRES  Set sequence reweighting identity threshold to IDTHRES [default: 0.8]
    -l LFACTOR  Set pairwise regularization coefficients to LFACTOR * (L-1) [default: 0.2]
    -A          Disable average product correction (APC)
    -R          Re-normalize output matrix to [0,1]
    -h          Display help

Number of threads are set with the -t argument. You need to have compiled with OPENMP support to see and use this option.

TaoDFang commented 4 years ago

@croth1

Thanks Christian. It helps a lot !

Best ,