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updated README and remove old version tar.gz
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HotSpot3D-0.4.tar.gz

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README.md

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@@ -7,7 +7,7 @@ Usage
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Program: HotSpot3D - 3D mutation proximity analysis program.
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Version: V0.4
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Version: V0.5.0
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Author: Beifang Niu, John Wallis, Adam D Scott, & Sohini Sengupta
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Usage: hotspot3d <command> [options]
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For user support please email [email protected]
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Update
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------
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To reinstall code (in some cases, may need --sudo):
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cpanm --reinstall HotSpot3D-#.tar.gz
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Install (Ubuntu 14.04.01)
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Prerequisites:
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In order to install HotSpot3D package, first install CPANM
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(cpanm - get, unpack build and install modules from CPANM)
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NOTE: Some steps may require adding --force to install successfully.
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sudo apt-get install cpanminus
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sudo apt-get install cpanminus
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Another way to install cpanminus is to just download it, as per the installer
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curl -LO http://xrl.us/cpanm
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chmod +x cpanm
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curl -LO http://xrl.us/cpanm
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chmod +x cpanm
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Or by using cpan
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cpan App::cpanminus
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cpan App::cpanminus
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Intall Perl5 local lib
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cpanm --local-lib=~/perl5 local::lib && eval $(perl -I ~/perl5/lib/perl5/ -Mlocal::lib)
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cpanm --local-lib=~/perl5 local::lib && eval $(perl -I ~/perl5/lib/perl5/ -Mlocal::lib)
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Intall LWP::Simple module
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sudo apt-get install libwww-perl
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sudo apt-get install libwww-perl
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Intall Test::Most module
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wget http://search.cpan.org/CPAN/authors/id/O/OV/OVID/Test-Most-0.34.tar.gz
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cpanm Test-Most-0.34.tar.gz
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wget http://search.cpan.org/CPAN/authors/id/O/OV/OVID/Test-Most-0.34.tar.gz
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cpanm Test-Most-0.34.tar.gz
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Install HotSpot3D package:
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git clone https://github.com/ding-lab/hotspot3d
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cd hotspot3d
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cpanm HotSpot3D-#.#.tar.gz
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git clone https://github.com/ding-lab/hotspot3d
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cd hotspot3d
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cpanm HotSpot3D-#.#.tar.gz
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Installations under some organizations may use an internal perl version.
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To make use of the /usr/ perl, edit the first line of ~/perl5/bin/hotspot3d.
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from: #!/org/bin/perl
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to: #!/usr/bin/perl)
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Installations under some organizations may use an internal perl version.
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To make use of the /usr/ perl, edit the first line of ~/perl5/bin/hotspot3d.
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from: #!/org/bin/perl
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to: #!/usr/bin/perl)
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Example - Preprocessing
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1. (Optional) Run drugport module to parse Drugport data and generate a drugport parsing results flat file :
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hotspot3d drugport --pdb-file-dir=pdb_files_dir
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hotspot3d drugport --pdb-file-dir=pdb_files_dir
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2. Run 3D proximity calculation that also updates any existing preprocessed data :
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hotspot3d uppro --output-dir=preprocessing_dir --pdb-file-dir=pdb_files_dir --drugport-file=drugport_parsing_results_file 1>hotspot3d.uppro.err 2>hotspot3d.uppro.out
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hotspot3d uppro --output-dir=preprocessing_dir --pdb-file-dir=pdb_files_dir --drugport-file=drugport_parsing_results_file 1>hotspot3d.uppro.err 2>hotspot3d.uppro.out
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3. Calculate protein domain information for each UniProt ID (make sure all uppro jobs have finished!) :
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hotspot3d calroi --output-dir=preprocessing_dir
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hotspot3d calroi --output-dir=preprocessing_dir
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4. Significance determination calculation :
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hotspot3d statis --output-dir=preprocessing_dir
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hotspot3d statis --output-dir=preprocessing_dir
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5. Add protein domain annotation information to 3D proximity information :
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hotspot3d anno --output-dir=preprocessing_dir
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hotspot3d anno --output-dir=preprocessing_dir
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6. Choose transcripts based on the alignment between Uniprot sequence and human peptides sequences :
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hotspot3d trans --output-dir=preprocessing_dir
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hotspot3d trans --output-dir=preprocessing_dir
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7. Add cosmic v67 information to 3D proximity results :
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mkdir preprocessing_dir/cosmic
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cp COSMIc/cosmic_67_for_HotSpot3D_missense_only.tsv.bz2 ./preprocessing_dir/cosmic/
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cd ./preprocessing_dir/cosmic/
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bzip2 -d cosmic_67_for_HotSpot3D_missense_only.tsv.bz2
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hotspot3d cosmic --output-dir=preprocessing_dir
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mkdir preprocessing_dir/cosmic
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cp COSMIc/cosmic_67_for_HotSpot3D_missense_only.tsv.bz2 ./preprocessing_dir/cosmic/
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cd ./preprocessing_dir/cosmic/
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bzip2 -d cosmic_67_for_HotSpot3D_missense_only.tsv.bz2
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hotspot3d cosmic --output-dir=preprocessing_dir
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8. Prioritization :
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hotspot3d prior --output-dir=preprocessing_dir --p-value-cutoff=0.1 --3d-distance-cutoff=20 --linear-distance-cutoff=0.5
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hotspot3d prior --output-dir=preprocessing_dir --p-value-cutoff=0.1 --3d-distance-cutoff=20 --linear-distance-cutoff=0.5
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Example - Analysis
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1. Proximity searching (acquire proximity information for input mutations):
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hotspot3d search --maf-file=your.maf --prep-dir=preprocessing_dir
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hotspot3d search --maf-file=your.maf --prep-dir=preprocessing_dir
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2. Post-processing of pairwise data (required for cluster step):
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hotspot3d post --maf-file=your.maf
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hotspot3d post --maf-file=your.maf
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3. Cluster pairwise data:
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hotspot3d cluster --collapsed-file=3D_Proximity.pairwise.singleprotein.collapsed --pairwise-file=3D_Proximity.pairwise
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hotspot3d cluster --collapsed-file=3D_Proximity.pairwise.singleprotein.collapsed --pairwise-file=3D_Proximity.pairwise
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4. Cluster significance calculation:
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hotspot3d sigclus --prep-dir=preprocessing_dir --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
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hotspot3d sigclus --prep-dir=preprocessing_dir --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
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5. Clustering Summary:
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hotspot3d summary --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
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hotspot3d summary --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
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6. Visualization (works with PyMol):
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hotspot3d visual --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters --pdb=3XSR
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hotspot3d visual --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters --pdb=3XSR
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Tips
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