77-----
88
99 Program: HotSpot3D - 3D mutation proximity analysis program.
10- Version: V0.4
10+ Version: V0.5.0
1111 Author: Beifang Niu, John Wallis, Adam D Scott, & Sohini Sengupta
1212
1313 Usage: hotspot3d <command > [ options]
@@ -36,88 +36,112 @@ SUPPORT
3636For user support please email
[email protected] 3737
3838
39+ Update
40+ ------
41+
42+ To reinstall code (in some cases, may need --sudo):
43+
44+ cpanm --reinstall HotSpot3D-#.tar.gz
45+
46+
3947Install (Ubuntu 14.04.01)
4048-------
4149
4250Prerequisites:
4351
4452In order to install HotSpot3D package, first install CPANM
53+
4554(cpanm - get, unpack build and install modules from CPANM)
55+
4656NOTE: Some steps may require adding --force to install successfully.
4757
48- sudo apt-get install cpanminus
58+ sudo apt-get install cpanminus
4959
5060 Another way to install cpanminus is to just download it, as per the installer
5161
52- curl -LO http://xrl.us/cpanm
53- chmod +x cpanm
62+ curl -LO http://xrl.us/cpanm
63+
64+ chmod +x cpanm
5465
5566 Or by using cpan
5667
57- cpan App::cpanminus
68+ cpan App::cpanminus
5869
5970Intall Perl5 local lib
6071
61- cpanm --local-lib=~/perl5 local::lib && eval $(perl -I ~/perl5/lib/perl5/ -Mlocal::lib)
72+ cpanm --local-lib=~/perl5 local::lib && eval $(perl -I ~/perl5/lib/perl5/ -Mlocal::lib)
6273
6374Intall LWP::Simple module
6475
65- sudo apt-get install libwww-perl
76+ sudo apt-get install libwww-perl
6677
6778Intall Test::Most module
6879
69- wget http://search.cpan.org/CPAN/authors/id/O/OV/OVID/Test-Most-0.34.tar.gz
70- cpanm Test-Most-0.34.tar.gz
80+ wget http://search.cpan.org/CPAN/authors/id/O/OV/OVID/Test-Most-0.34.tar.gz
81+
82+ cpanm Test-Most-0.34.tar.gz
7183
7284Install HotSpot3D package:
7385
74- git clone https://github.com/ding-lab/hotspot3d
75- cd hotspot3d
76- cpanm HotSpot3D-#.#.tar.gz
86+ git clone https://github.com/ding-lab/hotspot3d
87+
88+ cd hotspot3d
89+
90+ cpanm HotSpot3D-#.#.tar.gz
91+
92+
93+ Installations under some organizations may use an internal perl version.
94+
95+ To make use of the /usr/ perl, edit the first line of ~/perl5/bin/hotspot3d.
96+
97+ from: #!/org/bin/perl
98+
99+ to: #!/usr/bin/perl)
77100
78- Installations under some organizations may use an internal perl version.
79- To make use of the /usr/ perl, edit the first line of ~/perl5/bin/hotspot3d.
80- from: #!/org/bin/perl
81- to: #!/usr/bin/perl)
82101
83102Example - Preprocessing
84103-----------------------
85104
861051 . (Optional) Run drugport module to parse Drugport data and generate a drugport parsing results flat file :
87106
88- hotspot3d drugport --pdb-file-dir=pdb_files_dir
107+ hotspot3d drugport --pdb-file-dir=pdb_files_dir
89108
901092 . Run 3D proximity calculation that also updates any existing preprocessed data :
91110
92- 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
111+ 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
93112
941133 . Calculate protein domain information for each UniProt ID (make sure all uppro jobs have finished!) :
95114
96- hotspot3d calroi --output-dir=preprocessing_dir
115+ hotspot3d calroi --output-dir=preprocessing_dir
97116
981174 . Significance determination calculation :
99118
100- hotspot3d statis --output-dir=preprocessing_dir
119+ hotspot3d statis --output-dir=preprocessing_dir
101120
1021215 . Add protein domain annotation information to 3D proximity information :
103122
104- hotspot3d anno --output-dir=preprocessing_dir
123+ hotspot3d anno --output-dir=preprocessing_dir
105124
1061256 . Choose transcripts based on the alignment between Uniprot sequence and human peptides sequences :
107126
108- hotspot3d trans --output-dir=preprocessing_dir
127+ hotspot3d trans --output-dir=preprocessing_dir
109128
1101297 . Add cosmic v67 information to 3D proximity results :
111130
112- mkdir preprocessing_dir/cosmic
113- cp COSMIc/cosmic_67_for_HotSpot3D_missense_only.tsv.bz2 ./preprocessing_dir/cosmic/
114- cd ./preprocessing_dir/cosmic/
115- bzip2 -d cosmic_67_for_HotSpot3D_missense_only.tsv.bz2
116- hotspot3d cosmic --output-dir=preprocessing_dir
131+ mkdir preprocessing_dir/cosmic
132+
133+ cp COSMIc/cosmic_67_for_HotSpot3D_missense_only.tsv.bz2 ./preprocessing_dir/cosmic/
134+
135+ cd ./preprocessing_dir/cosmic/
136+
137+ bzip2 -d cosmic_67_for_HotSpot3D_missense_only.tsv.bz2
138+
139+ hotspot3d cosmic --output-dir=preprocessing_dir
117140
1181418 . Prioritization :
119142
120- hotspot3d prior --output-dir=preprocessing_dir --p-value-cutoff=0.1 --3d-distance-cutoff=20 --linear-distance-cutoff=0.5
143+ hotspot3d prior --output-dir=preprocessing_dir --p-value-cutoff=0.1 --3d-distance-cutoff=20 --linear-distance-cutoff=0.5
144+
121145
122146Example - Analysis
123147------------------
@@ -126,27 +150,27 @@ Example - Analysis
126150
1271511 . Proximity searching (acquire proximity information for input mutations):
128152
129- hotspot3d search --maf-file=your.maf --prep-dir=preprocessing_dir
153+ hotspot3d search --maf-file=your.maf --prep-dir=preprocessing_dir
130154
1311552 . Post-processing of pairwise data (required for cluster step):
132156
133- hotspot3d post --maf-file=your.maf
157+ hotspot3d post --maf-file=your.maf
134158
1351593 . Cluster pairwise data:
136160
137- hotspot3d cluster --collapsed-file=3D_Proximity.pairwise.singleprotein.collapsed --pairwise-file=3D_Proximity.pairwise
161+ hotspot3d cluster --collapsed-file=3D_Proximity.pairwise.singleprotein.collapsed --pairwise-file=3D_Proximity.pairwise
138162
1391634 . Cluster significance calculation:
140164
141- hotspot3d sigclus --prep-dir=preprocessing_dir --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
165+ hotspot3d sigclus --prep-dir=preprocessing_dir --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
142166
1431675 . Clustering Summary:
144168
145- hotspot3d summary --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
169+ hotspot3d summary --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters
146170
1471716 . Visualization (works with PyMol):
148172
149- hotspot3d visual --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters --pdb=3XSR
173+ hotspot3d visual --pairwise-file=3D_Proximity.pairwise --clusters-file=3D_Proximity.pairwise.singleprotein.collapsed.clusters --pdb=3XSR
150174
151175Tips
152176----
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