bioinformatics.md 7.1 KB
Newer Older
Lukáš Krupčík's avatar
Lukáš Krupčík committed
1
2
3
4
5
6
Bioinformatics Applications
==========================

Introduction
------------

Lukáš Krupčík's avatar
Lukáš Krupčík committed
7
In addition to the many applications available through modules (deployed through EasyBuild packaging system) we provide an alternative source of applications on our clusters inferred from [Gentoo Linux](www.gentoo.org). The user's environment is setup through a script which returns a bash instance to the user (you can think of it a starting a whole virtual machine but inside your current namespace) . The applications were optimized by gcc compiler for the SandyBridge and IvyBridge platforms. The binaries use paths from /apps/gentoo prefix to find the required runtime dependencies, config files, etc. The Gentoo Linux is a standalone installation not even relying on the glibc provided by host operating system (Redhat). The trick which allowed us to install Gentoo Linux on the host Redhat system is called Gentoo::RAP and uses a modified loader with a hardcoded path ([links](https://wiki.gentoo.org/wiki/Prefix/libc)).
Lukáš Krupčík's avatar
Lukáš Krupčík committed
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260


Starting the environment
------------------------

```bash
$ /apps/gentoo/startprefix
```

Starting PBS jobs using the applications
----------------------------------------

Create a template file which can be used and an argument to qsub command. Notably, the 'PBS -S' line specifies full PATH to the Bourne shell of the Gentoo Linux environment.

```bash
$ cat myjob.pbs
#PBS -S /apps/gentoo/bin/sh
#PBS -l nodes=1:ppn=16,walltime=12:00:00
#PBS -q qfree
#PBS -M my_email@foo.bar
#PBS -m ea
#PBS -N sample22
#PBS -A DD-13-5
#source ~/.bashrc

cd $PBS_O_WORKDIR || exit 255

myscript.sh foo 1>myjob.log 2>&1

$ head -n 1 myscript.sh
#! /apps/gentoo/bin/sh
$ qsub myjob.pbs
$ qstat
```

Reading manual pages for installed applications
-----------------------------------------------

```bash
$ man -M /apps/gentoo/usr/share/man bwa
$ man -M /apps/gentoo/usr/share/man samtools
```

Listing of bioinformatics applications
--------------------------------------

```bash
mmokrejs@login2 ~ $ grep biology /scratch/mmokrejs/gentoo_rap/installed.txt
sci-biology/ANGLE-bin-20080813-r1
sci-biology/AlignGraph-9999
sci-biology/Atlas-Link-0.01-r1
sci-biology/BRANCH-9999
sci-biology/EBARDenovo-1.2.2
sci-biology/FLASH-1.2.9
sci-biology/GAL-0.2.2
sci-biology/Gambit-0.4.145
sci-biology/HTSeq-0.6.1
sci-biology/InterMine-0.98
sci-biology/MochiView-1.45
sci-biology/MuSeqBox-5.4
sci-biology/ONTO-PERL-1.41
sci-biology/ORFcor-20130507
sci-biology/Rcorrector-9999
sci-biology/SSAKE-3.8.2
sci-biology/STAR-9999
sci-biology/YASRA-2.33
sci-biology/abacas-1.3.1
sci-biology/align_to_scf-1.06
sci-biology/assembly-stats-9999
sci-biology/bambus-2.33
sci-biology/bamtools-9999
sci-biology/bcftools-1.2
sci-biology/bedtools-2.22.1
sci-biology/bfast-0.7.0a
sci-biology/biobambam2-9999
sci-biology/bismark-0.13.0
sci-biology/blat-34-r1
sci-biology/blue-1.1.3
sci-biology/bowtie-2.2.9
sci-biology/brat-1.2.4
sci-biology/bwa-0.7.13
sci-biology/bx-python-9999
sci-biology/cast-bin-20080813
sci-biology/cd-hit-4.6.5
sci-biology/cdbfasta-0.1
sci-biology/clover-2011.10.24
sci-biology/clustalw-2.1
sci-biology/cnrun-2.0.3
sci-biology/codonw-1.4.4-r2
sci-biology/conform-gt-1174
sci-biology/conifer-0.2.2
sci-biology/coral-1.4
sci-biology/cross_genome-20140822
sci-biology/cutadapt-9999
sci-biology/dawg-1.1.2
sci-biology/dna2pep-1.1
sci-biology/edena-3.131028
sci-biology/epga-9999
sci-biology/erpin-5.5b
sci-biology/estscan-3.0.3
sci-biology/eugene-4.1d
sci-biology/exonerate-gff3-9999
sci-biology/fastx_toolkit-0.0.14
sci-biology/gemini-9999
sci-biology/geneid-1.4.4
sci-biology/genepop-4.2.1
sci-biology/glimmerhmm-3.0.1-r1
sci-biology/gmap-2015.12.31.5
sci-biology/hexamer-19990330
sci-biology/hts-python-9999
sci-biology/jellyfish-2.1.4
sci-biology/jigsaw-3.2.10
sci-biology/kallisto-9999
sci-biology/karect-1.0.0
sci-biology/lastz-1.03.66
sci-biology/libgtextutils-0.6.1
sci-biology/lucy-1.20
sci-biology/megahit-9999
sci-biology/merlin-1.1.2
sci-biology/miranda-3.3a
sci-biology/mreps-2.5
sci-biology/mrfast-2.6.0.1
sci-biology/mummer-3.22-r1
sci-biology/muscle-3.8.31
sci-biology/nrcl-110625
sci-biology/nwalign-0.3.1
sci-biology/oases-9999
sci-biology/parafly-20130121
sci-biology/phrap-1.080812-r1
sci-biology/phred-071220
sci-biology/phylip-3.696-r1
sci-biology/plinkseq-0.10
sci-biology/primer3-2.3.7
sci-biology/prinseq-lite-0.20.4
sci-biology/proda-1.0
sci-biology/pybedtools-0.6.9
sci-biology/pysam-0.9.0
sci-biology/pysamstats-0.24.2
sci-biology/quast-2.3
sci-biology/quorum-1.0.0
sci-biology/reaper-15348
sci-biology/repeatmasker-libraries-20150807
sci-biology/reptile-1.1
sci-biology/samstat-20130708
sci-biology/samtools-0.1.20-r2
sci-biology/samtools-1.3-r1
sci-biology/scaffold_builder-20131122-r1
sci-biology/scan_for_matches-20121220
sci-biology/screed-0.7.1
sci-biology/scythe-0.992
sci-biology/seqan-2.1.1
sci-biology/seqtools-4.34.5
sci-biology/sff_dump-1.04
sci-biology/sgp2-1.1
sci-biology/shrimp-2.2.3
sci-biology/sickle-9999
sci-biology/smalt-0.7.6
sci-biology/snpomatic-9999
sci-biology/ssaha2-bin-2.5.5
sci-biology/stampy-1.0.28
sci-biology/stringtie-1.2.2
sci-biology/subread-1.4.6
sci-biology/swissknife-1.72
sci-biology/tagdust-20101028
sci-biology/tclust-110625
sci-biology/tigr-foundation-libs-2.0-r1
sci-biology/trans-abyss-1.4.8
sci-biology/trf-4.07b
sci-biology/uchime-4.2.40
sci-biology/velvet-1.2.10
sci-biology/velvetk-20120606
sci-biology/zmsort-110625
```

```bash
mmokrejs@login2 ~ $ grep sci-libs /scratch/mmokrejs/gentoo_rap/installed.txt 
sci-libs/amd-2.3.1
sci-libs/blas-reference-20151113-r1
sci-libs/camd-2.3.1
sci-libs/cbflib-0.9.3.3
sci-libs/ccolamd-2.8.0
sci-libs/cholmod-2.1.2
sci-libs/coinor-cbc-2.8.9
sci-libs/coinor-cgl-0.58.6
sci-libs/coinor-clp-1.15.6-r1
sci-libs/coinor-dylp-1.9.4
sci-libs/coinor-osi-0.106.6
sci-libs/coinor-utils-2.9.11
sci-libs/coinor-vol-1.4.4
sci-libs/colamd-2.8.0
sci-libs/cxsparse-3.1.2
sci-libs/dcmtk-3.6.0
sci-libs/gsl-2.1
sci-libs/hdf5-1.8.15_p1
sci-libs/htslib-1.3
sci-libs/io_lib-1.14.7
sci-libs/lapack-reference-3.6.0-r1
sci-libs/lemon-1.3-r2
sci-libs/libmaus2-9999
sci-libs/qrupdate-1.1.2-r1
sci-libs/scikits-0.1-r1
sci-libs/suitesparseconfig-4.2.1
sci-libs/umfpack-5.6.2
mmokrejs@login2 ~ $

	error-correctors
	aligners
	clusterers
	assemblers
	scaffolders
	motif searching
	ORF/gene prediction/genome annotation
	genotype/haplotype/popullation genetics
	phylogenetics
	transcriptome analysis
	utilities
	GUI
	libraries
```

Classification of applications
------------------------------

|Applications for bioinformatics at IT4I	|
|---|---|
|error-correctors|6|
|aligners|20|
|clusterers|5|
|assemblers|9|
|scaffolders|6|
|motif searching|6|
|ORF/gene prediction/genome annotation|13|
|genotype/haplotype/popullation genetics|3|
|phylogenetics|1|
|transcriptome analysis|2|
|utilities|15|
|GUI|3|
|libraries|4|
|**Total**|**93**|

![graphs](../img/bio-graphs.png)


Other applications available through Gentoo Linux
-------------------------------------------------

Gentoo Linux is a allows compilation of its applications from source code while using compiler and optimize flags set to user's wish. This facilitates creation of optimized binaries for the host platform. Users maybe also use several versions of gcc, python and other tools.

```bash
$ gcc-config -l
$ java-config -L
$ eselect
```