<![CDATA[BOL: Related items]]> https://bioinformaticsonline.com/related/38248?offset=10 https://bioinformaticsonline.com/pages/view/9030/linux-ssh-client-commands-for-bioinformatics Thu, 13 Mar 2014 17:16:32 -0500 https://bioinformaticsonline.com/pages/view/9030/linux-ssh-client-commands-for-bioinformatics <![CDATA[Linux SSH Client Commands for Bioinformatics]]> Here come on let play with the following basic command line usage of the ssh client.

1. Check your SSH Client Version:

Checking for your SSH client is very sare, but sometimes it may be necessary to identify the SSH client that you are currently running and it’s corresponding version number. The SSh client can be identified as follows

$ ssh -V
OpenSSH_3.9p1, OpenSSL 0.9.7a Feb 19 2013

$ ssh -V
ssh: SSH Secure Shell 3.2.9.1 (non-commercial version) on i686-pc-linux-gnu

2. Connect and login to remote host:

The First time when you login to the remotehost from a localhost, it will display the host key not found message and you can give “yes” to continue. The host key of the remote host will be added under .ssh2/hostkeys directory of your home directory, as shown below.

localhost$ ssh -l jit remotehost.example.com

jit@remotehost.example.com password:

remotehost.example.com$

The Second time when you login to the remote host from the localhost, it will prompt only for the password as the remote host key is already added to the known hosts list of the ssh client.

localhost$ ssh -l jit remotehost.example.com
jit@remotehost.example.com password:
remotehost.example.com$

For some reason, if the host key of the remote host is changed after you logged in for the first time, you may get a warning message as shown below. This could be because of various reasons such as 1) Sysadmin upgraded/reinstalled the SSH server on the remote host 2) someone is doing malicious activity etc., The best possible action to take before saying “yes” to the message below, is to call your sysadmin and identify why you got the host key changed message and verify whether it is the correct host key or not.

localhost$ ssh -l jit remotehost.example.com

jit @remotehost.example.com's password:
remotehost$

4. Debug SSH Client:

Sometimes it is necessary to view debug messages to troubleshoot any SSH connection issues. For this purpose, pass -v (lowercase v) option to the ssh as shown below.

Example without debug message:

        localhost$ ssh -l jit remotehost.example.com
        warning: Connecting to remotehost.example.com failed: No address associated to the name
        localhost$

Example with debug message:

        locaclhost$ ssh -v -l jit remotehost.example.com
        debug: SshConfig/sshconfig.c:2838/ssh2_parse_config_ext: Metaconfig parsing stopped at line 3.
        debug: SshConfig/sshconfig.c:637/ssh_config_set_param_verbose: Setting variable 'VerboseMode' to 'FALSE'.
        debug: SshConfig/sshconfig.c:3130/ssh_config_read_file_ext: Read 17 params from config file.
        debug: Ssh2/ssh2.c:1707/main: User config file not found, using defaults. (Looked for '/home/jit/.ssh2/ssh2_config')
        debug: Connecting to remotehost.example.com, port 22... (SOCKS not used)
        warning: Connecting to remotehost.example.com failed: No address associated to

5. Escape Character: (Toggle SSH session, SSH session statistics etc.)

Escape character ~ get’s SSH clients attention and the character following the ~ determines the escape command.
Toggle SSH Session: When you’ve logged on to the remotehost using ssh from the localhost, you may want to come back to the localhost to perform some activity and go back to remote host again. In this case, you don’t need to disconnect the ssh session to the remote host. Instead follow the steps below.

i. Login to remotehost from localhost: localhost$ssh -l jit remotehost
ii. Now you are connected to the remotehost: remotehost$
iii. To come back to the localhost temporarily, type the escape character ~ and Control-Z. When you type ~ you will not see that immediately on the screen until you press and press enter. So, on the remotehost in a new line enter the following key strokes for the below to work: ~

    remotehost$ ~^Z
    [1]+  Stopped                 ssh -l jit remotehost
    localhost$

iv. Now you are back to the localhost and the ssh remotehost client session runs as a typical unix background job, which you can check as shown below:

    localhost$ jobs
    [1]+  Stopped                 ssh -l jit remotehost

v. You can go back to the remote host ssh without entering the password again by bringing the background ssh remotehost session job to foreground on the localhost

    localhost$ fg %1
    ssh -l jit remotehost
    remotehost$

]]> Rahul Nayak https://bioinformaticsonline.com/blog/view/36525/installing-bandage-on-ubunty Tue, 08 May 2018 08:03:21 -0500 https://bioinformaticsonline.com/blog/view/36525/installing-bandage-on-ubunty <![CDATA[Installing Bandage on Ubunty !]]> The following instructions successfully build Bandage (https://github.com/rrwick/Bandage ) on a fresh installation of Ubuntu 14.04:

  1. Ensure the package lists are up-to-date: sudo apt-get update
  2. Install prerequisite packages: sudo apt-get install build-essential git qtbase5-dev libqt5svg5-dev
  3. Download the Bandage code from GitHub: git clone https://github.com/rrwick/Bandage.git
  4. Open a terminal in the Bandage directory.
  5. Set the environment variable to specify that you will be using Qt 5, not Qt 4: export QT_SELECT=5
  6. Run qmake to generate a Makefile: qmake
  7. Build the program: make
  8. Bandage should now be an executable file.
  9. Optionally, copy the program into /usr/local/bin: sudo make install. The Bandage build directory can then be deleted.

➜ Tools git:(master) ✗ sudo apt-get update
[sudo] password for urbe: 
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➜ Tools git:(master) ✗ sudo apt-get install build-essential git qtbase5-dev libqt5svg5-dev
Reading package lists... Done
Building dependency tree 
Reading state information... Done
build-essential is already the newest version (12.1ubuntu2).
git is already the newest version (1:2.7.4-0ubuntu1.3).
The following packages were automatically installed and are no longer required:
bridge-utils containerd linux-headers-4.4.0-116 linux-headers-4.4.0-116-generic linux-headers-4.4.0-21 linux-headers-4.4.0-21-generic linux-image-4.4.0-116-generic linux-image-4.4.0-21-generic
linux-image-extra-4.4.0-116-generic linux-image-extra-4.4.0-21-generic linux-signed-image-4.4.0-116-generic runc ubuntu-fan
Use 'sudo apt autoremove' to remove them.
The following additional packages will be installed:
libdrm-dev libegl1-mesa-dev libgl1-mesa-dev libgles2-mesa libgles2-mesa-dev libglu1-mesa-dev libmirclient-dev libmircommon-dev libmircookie-dev libmircookie2 libmircore-dev libprotobuf-dev libprotobuf9v5
libqt5concurrent5 libqt5core5a libqt5dbus5 libqt5gui5 libqt5network5 libqt5opengl5 libqt5opengl5-dev libqt5printsupport5 libqt5sql5 libqt5sql5-sqlite libqt5svg5 libqt5test5 libqt5widgets5 libqt5xml5 libwayland-bin
libwayland-dev libx11-xcb-dev libxcb-dri2-0-dev libxcb-dri3-dev libxcb-glx0-dev libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present-dev libxcb-randr0 libxcb-randr0-dev libxcb-render-util0 libxcb-render0-dev
libxcb-shape0-dev libxcb-sync-dev libxcb-xfixes0-dev libxcb-xkb1 libxdamage-dev libxext-dev libxfixes-dev libxkbcommon-dev libxkbcommon-x11-0 libxshmfence-dev libxxf86vm-dev mesa-common-dev qt5-qmake
qtbase5-dev-tools qttranslations5-l10n x11proto-damage-dev x11proto-dri2-dev x11proto-fixes-dev x11proto-gl-dev x11proto-xext-dev x11proto-xf86vidmode-dev
Suggested packages:
libqt5libqgtk2 qt5-image-formats-plugins qtwayland5 libxext-doc libmysqlclient-dev libpq-dev libsqlite3-dev unixodbc-dev
The following NEW packages will be installed:
libdrm-dev libegl1-mesa-dev libgl1-mesa-dev libgles2-mesa libgles2-mesa-dev libglu1-mesa-dev libmirclient-dev libmircommon-dev libmircookie-dev libmircookie2 libmircore-dev libprotobuf-dev libprotobuf9v5
libqt5concurrent5 libqt5core5a libqt5dbus5 libqt5gui5 libqt5network5 libqt5opengl5 libqt5opengl5-dev libqt5printsupport5 libqt5sql5 libqt5sql5-sqlite libqt5svg5 libqt5svg5-dev libqt5test5 libqt5widgets5 libqt5xml5
libwayland-bin libwayland-dev libx11-xcb-dev libxcb-dri2-0-dev libxcb-dri3-dev libxcb-glx0-dev libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present-dev libxcb-randr0 libxcb-randr0-dev libxcb-render-util0
libxcb-render0-dev libxcb-shape0-dev libxcb-sync-dev libxcb-xfixes0-dev libxcb-xkb1 libxdamage-dev libxext-dev libxfixes-dev libxkbcommon-dev libxkbcommon-x11-0 libxshmfence-dev libxxf86vm-dev mesa-common-dev
qt5-qmake qtbase5-dev qtbase5-dev-tools qttranslations5-l10n x11proto-damage-dev x11proto-dri2-dev x11proto-fixes-dev x11proto-gl-dev x11proto-xext-dev x11proto-xf86vidmode-dev
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➜ Tools git:(master) ✗ git clone https://github.com/rrwick/Bandage.git
Cloning into 'Bandage'...
remote: Counting objects: 7813, done.
remote: Total 7813 (delta 0), reused 0 (delta 0), pack-reused 7813
Receiving objects: 100% (7813/7813), 27.43 MiB | 16.33 MiB/s, done.
Resolving deltas: 100% (5973/5973), done.
Checking connectivity... done.
➜ Tools git:(master) ✗ cd Bandage 
➜ Bandage git:(master) ls
Bandage.pro BandageTests.pro blast build_scripts command_line COPYING graph images ogdf program README.md tests ui
➜ Bandage git:(master) export QT_SELECT=5
➜ Bandage git:(master) qmake
➜ Bandage git:(master) ✗ make
/home/urbe/anaconda3/bin/uic ui/mainwindow.ui -o ui_mainwindow.h
/home/urbe/anaconda3/bin/uic ui/settingsdialog.ui -o ui_settingsdialog.h
/home/urbe/anaconda3/bin/uic ui/aboutdialog.ui -o ui_aboutdialog.h
/home/urbe/anaconda3/bin/uic ui/enteroneblastquerydialog.ui -o ui_enteroneblastquerydialog.h
/home/urbe/anaconda3/bin/uic ui/blastsearchdialog.ui -o ui_blastsearchdialog.h
/home/urbe/anaconda3/bin/uic ui/myprogressdialog.ui -o ui_myprogressdialog.h
/home/urbe/anaconda3/bin/uic ui/pathspecifydialog.ui -o ui_pathspecifydialog.h
/home/urbe/anaconda3/bin/uic ui/querypathsdialog.ui -o ui_querypathsdialog.h
/home/urbe/anaconda3/bin/uic ui/blasthitfiltersdialog.ui -o ui_blasthitfiltersdialog.h
/home/urbe/anaconda3/bin/uic ui/changenodenamedialog.ui -o ui_changenodenamedialog.h
/home/urbe/anaconda3/bin/uic ui/graphinfodialog.ui -o ui_graphinfodialog.h
/home/urbe/anaconda3/bin/uic ui/changenodedepthdialog.ui -o ui_changenodedepthdialog.h
g++ -c -pipe -O2 -std=gnu++0x -Wall -W -D_REENTRANT -fPIC -DQT_NO_DEBUG -DQT_SVG_LIB -DQT_WIDGETS_LIB -DQT_GUI_LIB -DQT_CORE_LIB -I. -Iui -I/usr/include -I../../anaconda3/include/qt -I../../anaconda3/include/qt/QtSvg -I../../anaconda3/include/qt/QtWidgets -I../../anaconda3/include/qt/QtGui -I../../anaconda3/include/qt/QtCore -I. -I. -I../../anaconda3/mkspecs/linux-g++ -o main.o program/main.cpp
g++ -c -pipe -O2 -std=gnu++0x -Wall -W -D_REENTRANT -fPIC -DQT_NO_DEBUG -DQT_SVG_LIB -DQT_WIDGETS_LIB -DQT_GUI_LIB -DQT_CORE_LIB -I. -Iui -I/usr/include -I../../anaconda3/include/qt -I../../anaconda3/include/qt/QtSvg -I../../anaconda3/include/qt/QtWidgets -I../../anaconda3/include/qt/QtGui -I../../anaconda3/include/qt/QtCore -I. -I. -I../../anaconda3/mkspecs/linux-g++ -o settings.o program/settings.cpp
....

...
g++ -Wl,-O1 -Wl,-rpath,/home/urbe/anaconda3/lib -o Bandage main.o settings.o globals.o graphlayoutworker.o debruijnnode.o debruijnedge.o graphicsitemnode.o graphicsitemedge.o mainwindow.o graphicsviewzoom.o settingsdialog.o mygraphicsview.o mygraphicsscene.o aboutdialog.o enteroneblastquerydialog.o blasthit.o blastqueries.o blastsearchdialog.o infotextwidget.o assemblygraph.o verticalscrollarea.o myprogressdialog.o nodewidthvisualaid.o verticallabel.o load.o image.o commoncommandlinefunctions.o mytablewidget.o buildblastdatabaseworker.o colourbutton.o blastquery.o runblastsearchworker.o blastsearch.o path.o pathspecifydialog.o graphlocation.o tablewidgetitemint.o tablewidgetitemdouble.o tablewidgetitemshown.o memory.o querypathspushbutton.o querypathsdialog.o blastquerypath.o blasthitfiltersdialog.o scinot.o changenodenamedialog.o querypathsequencecopybutton.o querypaths.o info.o reduce.o Graph.o GraphAttributes.o FMMMLayout.o geometry.o ClusterGraphAttributes.o FruchtermanReingold.o NMM.o GmlParser.o simple_graph_alg.o basic.o XmlParser.o String.o Hashing.o PoolMemoryAllocator.o GraphCopy.o CombinatorialEmbedding.o OgmlParser.o ClusterGraph.o Math.o EdgeAttributes.o NodeAttributes.o MAARPacking.o Multilevel.o numexcept.o Set.o Ogml.o DinoXmlParser.o DinoXmlScanner.o DinoTools.o DinoLineBuffer.o System.o QuadTreeNM.o QuadTreeNodeNM.o Constraint.o MultilevelGraph.o graphinfodialog.o tablewidgetitemname.o changenodedepthdialog.o qrc_images.o moc_graphlayoutworker.o moc_mainwindow.o moc_graphicsviewzoom.o moc_settingsdialog.o moc_mygraphicsview.o moc_mygraphicsscene.o moc_aboutdialog.o moc_enteroneblastquerydialog.o moc_blastquery.o moc_blastsearchdialog.o moc_infotextwidget.o moc_assemblygraph.o moc_verticalscrollarea.o moc_myprogressdialog.o moc_nodewidthvisualaid.o moc_verticallabel.o moc_mytablewidget.o moc_buildblastdatabaseworker.o moc_colourbutton.o moc_runblastsearchworker.o moc_pathspecifydialog.o moc_querypathspushbutton.o moc_querypathsdialog.o moc_blasthitfiltersdialog.o moc_changenodenamedialog.o moc_querypathsequencecopybutton.o moc_graphinfodialog.o moc_changenodedepthdialog.o -L/usr/lib -L/home/urbe/anaconda3/lib -lQt5Svg -lQt5Widgets -lQt5Gui -lQt5Core -lGL -lpthread 
➜ Bandage git:(master) ✗ ls 
aboutdialog.o DinoTools.o Makefile moc_infotextwidget.cpp moc_verticalscrollarea.o scinot.o
assemblygraph.o DinoXmlParser.o Math.o moc_infotextwidget.o MultilevelGraph.o Set.o
Bandage DinoXmlScanner.o memory.o moc_mainwindow.cpp Multilevel.o settingsdialog.o
Bandage.pro EdgeAttributes.o moc_aboutdialog.cpp moc_mainwindow.o mygraphicsscene.o settings.o
BandageTests.pro enteroneblastquerydialog.o moc_aboutdialog.o moc_mygraphicsscene.cpp mygraphicsview.o simple_graph_alg.o
basic.o FMMMLayout.o moc_assemblygraph.cpp moc_mygraphicsscene.o myprogressdialog.o String.o
blast FruchtermanReingold.o moc_assemblygraph.o moc_mygraphicsview.cpp mytablewidget.o System.o
blasthitfiltersdialog.o geometry.o moc_blasthitfiltersdialog.cpp moc_mygraphicsview.o NMM.o tablewidgetitemdouble.o
blasthit.o globals.o moc_blasthitfiltersdialog.o moc_myprogressdialog.cpp NodeAttributes.o tablewidgetitemint.o
blastqueries.o GmlParser.o moc_blastquery.cpp moc_myprogressdialog.o nodewidthvisualaid.o tablewidgetitemname.o
blastquery.o graph moc_blastquery.o moc_mytablewidget.cpp numexcept.o tablewidgetitemshown.o
blastquerypath.o GraphAttributes.o moc_blastsearchdialog.cpp moc_mytablewidget.o ogdf tests
blastsearchdialog.o GraphCopy.o moc_blastsearchdialog.o moc_nodewidthvisualaid.cpp Ogml.o ui
blastsearch.o graphicsitemedge.o moc_buildblastdatabaseworker.cpp moc_nodewidthvisualaid.o OgmlParser.o ui_aboutdialog.h
buildblastdatabaseworker.o graphicsitemnode.o moc_buildblastdatabaseworker.o moc_pathspecifydialog.cpp path.o ui_blasthitfiltersdialog.h
build_scripts graphicsviewzoom.o moc_changenodedepthdialog.cpp moc_pathspecifydialog.o pathspecifydialog.o ui_blastsearchdialog.h
changenodedepthdialog.o graphinfodialog.o moc_changenodedepthdialog.o moc_querypathsdialog.cpp PoolMemoryAllocator.o ui_changenodedepthdialog.h
changenodenamedialog.o graphlayoutworker.o moc_changenodenamedialog.cpp moc_querypathsdialog.o program ui_changenodenamedialog.h
ClusterGraphAttributes.o graphlocation.o moc_changenodenamedialog.o moc_querypathsequencecopybutton.cpp qrc_images.cpp ui_enteroneblastquerydialog.h
ClusterGraph.o Graph.o moc_colourbutton.cpp moc_querypathsequencecopybutton.o qrc_images.o ui_graphinfodialog.h
colourbutton.o Hashing.o moc_colourbutton.o moc_querypathspushbutton.cpp QuadTreeNM.o ui_mainwindow.h
CombinatorialEmbedding.o image.o moc_enteroneblastquerydialog.cpp moc_querypathspushbutton.o QuadTreeNodeNM.o ui_myprogressdialog.h
command_line images moc_enteroneblastquerydialog.o moc_runblastsearchworker.cpp querypathsdialog.o ui_pathspecifydialog.h
commoncommandlinefunctions.o info.o moc_graphicsviewzoom.cpp moc_runblastsearchworker.o querypathsequencecopybutton.o ui_querypathsdialog.h
Constraint.o infotextwidget.o moc_graphicsviewzoom.o moc_settingsdialog.cpp querypaths.o ui_settingsdialog.h
COPYING load.o moc_graphinfodialog.cpp moc_settingsdialog.o querypathspushbutton.o verticallabel.o
debruijnedge.o MAARPacking.o moc_graphinfodialog.o moc_verticallabel.cpp README.md verticalscrollarea.o
debruijnnode.o main.o moc_graphlayoutworker.cpp moc_verticallabel.o reduce.o XmlParser.o
DinoLineBuffer.o mainwindow.o moc_graphlayoutworker.o moc_verticalscrollarea.cpp runblastsearchworker.o
➜ Bandage git:(master) ✗ ./Bandage

]]> Jit https://bioinformaticsonline.com/pages/view/10409/check-linux-server-configuration Tue, 06 May 2014 01:10:57 -0500 https://bioinformaticsonline.com/pages/view/10409/check-linux-server-configuration <![CDATA[Check Linux server configuration !!]]> Bioinformatician uses servers for computational analysis. Sometime we need to check the server details before running our programs or tools. Here I am showing some basic commands using them you can gather the system/server information.

To check what version of Operating System is installed on the server you can use the following commands:-
 =================================================================
1.cat /etc/issue
[root@localhost ~]# cat /etc/issue
Red Hat Enterprise Linux Server release 5.5 (Tikanga)
Kernel \r on an \m

2.cat /etc/redhat-release
[root@localhost ~]# cat /etc/redhat-release
Red Hat Enterprise Linux Server release 5.5 (Tikanga)


3.lsb_release -a
[root@localhost ~]# lsb_release -a
LSB Version:    :core-3.1-ia32:core-3.1-noarch:graphics-3.1-ia32:graphics-3.1-noarch
Distributor ID: RedHatEnterpriseServer
Description:    Red Hat Enterprise Linux Server release 5.5 (Tikanga)
Release:        5.5
Codename:       Tikanga



To check whether the operating system is 32 or 64bit:-
================================
# uname -i
[root@localhost ~]# uname -i
i386
(i386 represents that server is having 32bit operating system)

[root@localhost ~]# uname -i
x86_64
(x86_64 represents that server is having 64bit operating system)

To see the processor/CPU information:-
=============================
# cat /proc/cpuinfo
[root@localhost ~] cat /proc/cpuinfo
processor       : 0
vendor_id       : GenuineIntel
cpu family      : 6
model           : 15
model name      : Intel(R) Xeon(R) CPU            5130  @ 2.00GHz
stepping        : 6
cpu MHz         : 1995.087
cache size      : 4096 KB
physical id     : 0
siblings        : 2
core id         : 0
cpu cores       : 2
apicid          : 0
fdiv_bug        : no
hlt_bug         : no
f00f_bug        : no
coma_bug        : no
fpu             : yes
fpu_exception   : yes
cpuid level     : 10
wp              : yes
flags           : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe nx lm constant_tsc pni monitor ds_cpl vmx tm2 ssse3 cx16 xtpr lahf_lm
bogomips        : 3990.17
(Here processor number 0 indicates that the system is having one process(processor number starts with zero))




To check memory information:-
===========================
# free -m
[root@localhost ~]# free -m
             total       used       free     shared    buffers     cached
Mem:          5066       3513       1552          0        612       2319
-/+ buffers/cache:        582       4484
Swap:         1983          0       1983



# cat /proc/meminfo
[root@localhost ~]# cat /proc/meminfo
MemTotal:      5187752 kB
MemFree:       1639300 kB
Buffers:        627024 kB
Cached:        2374944 kB
SwapCached:          0 kB
Active:        2458788 kB
Inactive:       920964 kB
HighTotal:     4325164 kB
HighFree:      1561936 kB
LowTotal:       862588 kB
LowFree:         77364 kB
SwapTotal:     2031608 kB
SwapFree:      2031608 kB
Dirty:             704 kB
Writeback:           0 kB
AnonPages:      377892 kB
Mapped:          35328 kB
Slab:           153036 kB
PageTables:       6316 kB
NFS_Unstable:        0 kB
Bounce:              0 kB
CommitLimit:   4625484 kB
Committed_AS:   977132 kB
VmallocTotal:   116728 kB
VmallocUsed:      4492 kB
VmallocChunk:   112124 kB
HugePages_Total:     0
HugePages_Free:      0
HugePages_Rsvd:      0
Hugepagesize:     2048 kB


To check the model and serial name of the server:-
=======================================
[root@localhost ~]#  dmidecode | egrep -i "product name|Serial number"
Product Name: PowerEdge R710
Serial Number: AB8CDE1
       

To check the host name:-
=====================
[root@localhost ~]# uname -n
localhost

[root@localhost ~]# hostname
localhost

To check the kernel version:-
========================
[root@localhost ~]# uname -r
2.6.18-238.9.1.el5PAE

]]> Rahul Nayak https://bioinformaticsonline.com/file/view/14868/bioinformaticians-summer-vacation Wed, 03 Sep 2014 13:11:50 -0500 https://bioinformaticsonline.com/file/view/14868/bioinformaticians-summer-vacation <![CDATA[Bioinformatician's summer vacation !!!]]> Yes, the bioinformatician do spend their summer vacation like this. They spend more time on cheking the JOBS running on various servers.

]]> Jit https://bioinformaticsonline.com/bookmarks/view/27238/slurm Wed, 04 May 2016 05:13:21 -0500 https://bioinformaticsonline.com/bookmarks/view/27238/slurm <![CDATA[SLURM]]> SLURM workload manager software, a free open-source workload manager designed specifically to satisfy the demanding needs of high performance computing.

This page is a HOWTO guide for setting up a SLURM installation, currently focused on a CentOS 7 Linux OS. Please send feedback to Ole.H.Nielsen /at/ fysik.dtu.dk.

See the SLURM homepage (also https://computing.llnl.gov/linux/slurm/).

Address of the bookmark: https://wiki.fysik.dtu.dk/niflheim/SLURM

]]> Jit https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein Wed, 25 Apr 2018 04:35:57 -0500 https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein <![CDATA[Binding Site Prediction in Protein !]]> The interaction between proteins and other molecules is fundamental to all biological functions. In this section we include tools that can assist in prediction of interaction sites on protein surface and tools for predicting the structure of the intermolecular complex formed between two or more molecules (docking).

Pockets Identification

CASTp

Automatic Identification of pockets and cavities in proteins structure, and quantitation of their volumes using Delaunay triangulation. Available also as PyMOL plugin

Pocket-Finder

Automatic identification of pockets and cavities in proteins structure, and quantitation of their volumes.

PocketPicker

Grid-based technique for the analysis of protein pockets. PocketPicker available as a plugin for PyMOL
 

Binding Site Prediction

ConSurf

 
Identification of functional regions in proteins by surface-mapping of phylogenetic information
 
 
Identification protein interaction sites. It uses sequence conservation patterns in homologous proteins to distinguish between residues that are conserved due to structural restraints from those due to functional restraints.  
 
Ligand Binding Sites
 
 
The server utilizes protein-structure prediction to provide structural models of the binding site. Ligands bound to structures are superimposed onto the model and use to predict the binding site.
 
 
A threading-based method for ligand-binding site prediction and functional annotation based on binding-site similarity across superimposed groups of threading templates.
 

LIGSITEcsc

 
Prediction of binding site by pocket identification using the Connolly surface and degree of conservation

 
metaPocketA meta server for ligand-binding site prediction. metaPocket use LIGSITEcsc, PASS, Q-SiteFinder and SURFNET
]]> Poonam Mahapatra https://bioinformaticsonline.com/pages/view/43605/installing-elgg-on-ubuntu Thu, 25 Nov 2021 01:45:59 -0600 https://bioinformaticsonline.com/pages/view/43605/installing-elgg-on-ubuntu <![CDATA[Installing ELGG on Ubuntu !]]> Follow this:

Settings file

  • Error

    Your web server does not have permission to create the settings.php file in your installation directory. You have two choices:

    1. Change the permissions on the elgg-config directory of your Elgg installation

    2. Copy the file elgg-config/settings.example.php to elgg-config/settings.php and follow the instructions in it for setting your database parameters.

 

To resolve this -- 

Change the permision 

chmod 777 elgg-config

Web server

  • Warning

    Your server does not support automatic testing of the rewrite rules and your browser does not support checking via JavaScript. You can continue the installation, but you may experience problems with your site. You can manually test the rewrite rules by clicking this link: test. You will see the word success if the rules are working.

create a .httaccess

and provide detail in it

Installation of Elgg

 

(Note: Elgg requires installing an instance of MySQL.)

 

Steps to make adjustment and disposal of trial installations easier.

 

MySQL

At this point, we assume you've set up your MySQL database

  1. Start your mysqld server daemon.
    (For the sake of this example, we'll assume we're running on port 9999; you shouldn't actually use this port because only one daemon can run on any port number.)
  2. Login to the server as root user, using the mysql client.
  3. Create a database to store Elgg's tables. We'll call the database elggalpha.
    mysql> create database elggalpha;
  4. Grant access to a user — for this example we'll call him/her elggalphauser. 
    mysql> grant all privileges on elggalpha.* to 'elggalphauser'@'moxie'
    -> identified by 'secretpassword';

 

Elgg

 

  1. Type umask 022
  2. Change into your public_html directory (aka folder).
    cd public_html
  3. make a directory called elgg
    mkdir elgg
  4. Change into the elgg subdirectory of public_html.
    cd elgg
  5. download elgg into this directory
  6. you'll end up with a file named
    /home/your-user-id/public_html/elgg/elgg-X.X.X.X.zip
    (It's not literally X.X.X.X, it might be elgg-1.8.0.1.zip, for example.)
  7. unzip elgg
    unzip -q elgg-1.8.0.1.zip
  8. you'll end up with a directory (folder) named
    /home/your-user-id/public_html/elgg/elgg-X.X.X.X
  9. make a symbolic link (aka shortcut) to this
    ln -s elgg-X.X.X.X alpha
    (For example, ln -s elgg-1.8.0.1 alpha)
  10. Give user nobody access to this directory
    /usr/misc/bin/acl.sh -r -u nobody elgg-1.8.0.1
  11. create a data directory for elgg (get into your home directory first): 
    cd
mkdir -p elgg/alpha/data
chmod -R 755 elgg/alpha/data
  12. Change into the elgg/alpha directory.
    cd elgg/alpha
  13. Give user nobody access to this subdirectory data
    /usr/misc/bin/acl.sh -u nobody data
  14. In your browser, navigate to your elgg installation
    http://moxie.cs.oswego.edu/~your-user-id/elgg/alpha/
    You'll have a screen which includes this message: 
    Welcome

Installing Elgg has 6 simple steps and reading this welcome is the first one!

If you haven't already, read through the installation instructions included with Elgg (or click the instructions link at the bottom of the page).

If you are ready to proceed, click the Next button.
  15. Follow configuration process:
    • The first screen probably will contain a success message in green and a failure message in pink: 
      Requirements check

Your server failed the requirements check. After you have fixed the below issues, refresh this
page. Check the troubleshooting links at the bottom of this page if you need further assistance.
PHP
      Your server's PHP satisfies all of Elgg's requirements.
      Web server
      We think your server is running the Apache web server. The rewrite test failed and the most likely cause is that AllowOverride is not set to All for Elgg's directory. This prevents Apache from processing the .htaccess file which contains the rewrite rules. A less likely cause is Apache is configured with an alias for your Elgg directory and you need to set the RewriteBase in your .htaccess. There are further instructions in the .htaccess file in your Elgg directory.
      Database
      The database requirements are checked when Elgg loads its database.
    • To correct this, replace the .htaccess file that Elgg created with one that you can edit: 
      cp -ip .htaccess temp-htaccess
rm .htaccess
mv temp-htaccess .htaccess
    • Edit the .htaccess file: Go to approximately line 101 (where it says #RewriteBase /) and add the line:
      RewriteBase /~your-user-id/elgg/alpha/
    • Be sure to save the edited file.

       

       

    • Click the Refresh button.

       

       

    • If this hasn't fixed things, seek professional help.

       

       

    • Click the Next button.

       

       

    • Fill in the parameters appropriate to your MySQL installation. 
      Database installation

If you haven't already created a database for Elgg, do that now. Then fill in the values below to
initialize the Elgg database.

Database Username
      elggalphauser
      User that has full priviledges to the MySQL database that you created for Elgg

Database Password
      secretpassword
      Password for the above database user account

Database Name
      elggalpha
      Name of the Elgg database

Database Host
      ‡
      moxie:9999
      Hostname of the MySQL server (usually localhost)
‡You might need to use 127.0.0.1:9999 for the host
    if you haven't set up MySQL as we've done.



Database Table Prefix
      elgg_
      The prefix given to all of Elgg's tables (usually elgg_)
      Next

       

       

    • Continue filling in forms as requested. 
      Configure site
      Database has been installed.
      We need some information about the site as we configure Elgg. If you haven't created a data directory for Elgg, you need to do so now.

Site Name
      My Elgg Site version Alpha
      The name of your new Elgg site

Site Email Address
      your-user-id@oswego.edu
      Email address used by Elgg for communication with users

Site URL
      http://moxie.cs.oswego.edu/~your-user-id/elgg/alpha/
      The address of the site (Elgg usually guesses this correctly)

Elgg Install Directory
      /home/your-user-id/public_html/elgg/elgg.1.8.0.1/
      The directory where you put the Elgg code (Elgg usually guesses this correctly)

Data Directory
      /home/your-user-id/elgg/alpha/data
      The directory that you created for Elgg to save files (the permissions on this directory are checked
when you click Next)

Default Site Access
      Public
      The default access level for new user created content

    • Create admin account
      Site settings have been saved.
      It is now time to create an administrator's account.

Display Name
       
      The name that is displayed on the site for this account

Email Address
       
      Username
       
      Account username used for logging in

Password
       
      Account password must be at least 6 characters long

Password Again
       
      Retype password to confirm
]]> Jit https://bioinformaticsonline.com/blog/view/44762/stay-connected-and-productive-unlock-the-power-of-screen-tmux-and-mosh-for-bioinformatics Wed, 22 Jan 2025 00:29:52 -0600 https://bioinformaticsonline.com/blog/view/44762/stay-connected-and-productive-unlock-the-power-of-screen-tmux-and-mosh-for-bioinformatics <![CDATA[Stay Connected and Productive: Unlock the Power of Screen, Tmux, and Mosh for Bioinformatics]]> If you are a bioinformatician, chances are you have spent hours running long, complex analyses on remote servers only to lose your session because of an unstable connection. Frustrating, isnt it? Fear not! With tools like screen, tmux, and mosh, you can safeguard your workflow and stay productive, no matter where you are.

Why Remote Session Management is a Must-Have

In bioinformatics, tasks like genome assembly, RNA-seq analyses, and phylogenetic computations often take hours or days. A dropped SSH connection can result in:

  • Lost Progress: Restarting a job from scratch wastes valuable time.
  • Workflow Interruptions: Disruptions can derail your focus and productivity.
  • Corrupted Data: Interrupted processes may lead to incomplete or corrupted outputs.

By integrating screen, tmux, or mosh into your workflow, you can avoid these setbacks and ensure a seamless experience.

Screen: The Classic Workhorse

Screen is a terminal multiplexer that comes pre-installed on most Linux systems. It allows you to manage multiple terminal sessions and reconnect to them even after being disconnected.

Getting Started with Screen:

  1. Start a Session:
    screen
  2. Detach from a Session:
    Press Ctrl+A, then D.
  3. Reattach to a Session:
    screen -r

Pro Tip: Enhance your screen experience with a customized .screenrc configuration file. Download one here: Get .screenrc.

Tmux: A Modern Alternative

Tmux takes everything great about screen and adds modern features, including better key bindings and intuitive session management. It\u2019s perfect for bioinformaticians who want more control over their workflow.

Getting Started with Tmux:

  1. Start a Session:
    tmux
  2. Detach from a Session:
    Press Ctrl+B, then D.
  3. Reattach to a Session:
    tmux attach

Customize Your Tmux Experience:
Use a .tmux.conf file to personalize your setup. Grab one here: Download .tmux.conf.

Mosh: The Mobile Shell for Unreliable Connections

SSH works well for stable networks, but it struggles in areas with spotty connectivity. Enter Mosh, the Mobile Shell. Designed for intermittent networks, Mosh keeps your session alive even when the connection drops temporarily.

Why Mosh is a Game-Changer:

  • No lag over high-latency networks.
  • Automatically reconnects when the network is restored.
  • Ideal for working on the go, from cafes to trains.

Getting Started with Mosh:

  1. Install Mosh:
    sudo apt install mosh # For Debian/Ubuntu
  2. Connect to a Server:
    mosh username@server

Learn more at mosh.org.

Why This Matters for Bioinformatics

Every bioinformatician knows the value of time and data integrity. Tools like screen, tmux, and mosh provide a lifeline when running long analyses, enabling you to:

  • Safeguard your work against disconnections.
  • Easily manage multiple workflows in parallel.
  • Stay productive, even in challenging environments.

Quickstart Cheat Sheet

  • Screen:

    screen # Start a session Ctrl+A, D # Detach screen -r # Reattach

  • Tmux:

    tmux # Start a session Ctrl+B, D # Detach tmux attach # Reattach

  • Mosh:

    mosh username@server

Final Thoughts

As a bioinformatician, your time is too valuable to spend restarting analyses due to technical hiccups. With screen, tmux, and mosh in your toolkit, you can work smarter, protect your progress, and stay productive no matter where you are. Start using these tools today and transform the way you work with remote systems.

Let me know how these tools work for you, and don\u2019t forget to follow for more bioinformatics tips!

]]> BioStar https://bioinformaticsonline.com/bookmarks/view/38908/busca-an-integrative-web-server-to-predict-subcellular-localization-of-proteins Thu, 07 Feb 2019 14:08:11 -0600 https://bioinformaticsonline.com/bookmarks/view/38908/busca-an-integrative-web-server-to-predict-subcellular-localization-of-proteins <![CDATA[BUSCA: an integrative web server to predict subcellular localization of proteins]]> BUSCA (Bologna Unified Subcellular Component Annotator) is a web-server for predicting protein subcellular localization. BUSCA integrates different tools to predict localization-related protein features (DeepSig, TPpred3, PredGPI and ENSEMBLE3.0) as well as tools for discriminating subcellular localization of both globular and membrane proteins (BaCelLo, MemLoci and SChloro).

Address of the bookmark: http://busca.biocomp.unibo.it/

]]> BioStar https://bioinformaticsonline.com/bookmarks/view/41504/quartataweb-user-friendly-server-developed-for-polypharmacological-and-chemogenomics-analyses Wed, 01 Apr 2020 10:30:52 -0500 https://bioinformaticsonline.com/bookmarks/view/41504/quartataweb-user-friendly-server-developed-for-polypharmacological-and-chemogenomics-analyses <![CDATA[QuartataWeb: user-friendly server developed for polypharmacological and chemogenomics analyses.]]> Data on protein-drug and protein-chemical interactions are rapidly accumulating in databases such as DrugBank and STITCH. These data usually reflect observed interactions, while the lack of data for a given protein-drug/chemical pair does not necessarily mean the lack of interaction. Indeed, recent studies, both computational and experimental, highlighted the promiscuity of both proteins and small molecules: many drugs have side effects i.e. they target proteins other than those known in public databases; and many proteins bind chemicals other than those known, opening the way to design repurposable drugs, new chemicals, or polypharmacological treatments.

https://academic.oup.com/bioinformatics/advance-article/doi/10.1093/bioinformatics/btaa210/5813333

Address of the bookmark: http://quartata.csb.pitt.edu/

]]> Neel