Oracle JDK Installation

JDK Installation

Installation of the Java Platform, Standard Edition Development Kit (JDK), allows you to run Java programs on your PC and as you browse in the Internet. To install Oracle JDK with web browser Java support, follow the steps below.

Open the terminal windows.
Add the software repository by entering the command below, press Enter to confirm. sudo add-apt-repository ppa:webupd8team/java
Download and update the package information from the software repositories.sudo apt-get update
Install Oracle JDK by entering the command below.
sudo apt-get install oracle-java8-installer
Configure the java command by entering the following command and enter the number representing the choice of Oracle JDK 8. If you only have one version of Java on your machine, you can skip this step. sudo update-alternatives --config java
Configure the javac command by entering the following command and enter the number representing the choice of Oracle JDK 8. If you only have one version of Java on your machine, you can skip this step. sudo update-alternatives --config javac
Confirm the installation by entering the commands below.

java -version

javac -version

Comments

How to keep chain ID / IDs in GROMACS?

In GROMACS , while converting pdb file (monomer or multimer) into .gro file, it do not preserve the chain ID information. Due to the lack of chain ID information, pdb file retrieved from .gro file at any stage of the simulation has missing chain IDs and pdb file can not be visualized properly in PYMOL / RASMOL . There are two ways to convert .gro file into .pdb Lets say your protein name is xyz.pdb 1] gmx editconf -f xyz.gro -o xyz.pdb 2] gmx trjconv -f xyz.gro -o xyz.pdb -s xyz.tpr Only ' trjconv ' will retrieve the chain ID information for all the chains. and not ' editconf '. If you have monomer protein and wish to assign any chain ID then following command will be of your interest: gmx editconf -f xyz.gro -o xyz.pdb -label [ chain-ID ]

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PyRx - Virtual Screening Tool

PyRx - Virtual Screening Tool PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes it a valuable tool for Computer-Aided Drug Design. PyRx also includes chemical spreadsheet-like functionality and powerful visualization engine that are essential for Rational Drug Design. Please visits PyRx home page to learn more about PyRx and watch videos on how to use it. Features 3D Viewer Virtual Screening Computer-Aided Drug Design AutoDock 4 https://sourceforge.net/projects/pyrx/

MD convert (xtc to dcd)

CATDCD program can be used to convert one file format to another file format. For example: How to convert trajectory output of GROMACS .xtc format into NAMD .dcd format ==== /path/to/catdcd -o /path/to/save/file/abc.dcd -xtc /input/path/to/save/file/abc.xtc ==== How to install CATDCD? Follow the link- https://www.ks.uiuc.edu/Development/MDTools/catdcd/ Download the catdcd-X.Xx.tar.gz Extract all files from the tar. Locate the catdcd file. It should be in directory : catdcd-4.0b/LINUXAMD64/bin/catdcd4.0/ Source the catdcd in your bashrc: export PATH="/path/to/catdcd/directory/:$PATH"

How to use MODELLER to build DIMER homology model with ligand?

How to use MODELLER to build DIMER homology model with ligand? Procedure: Get Fasta sequence from UNIPROT database. Predict sequence alignment from HHPRED Prepare INPUT files for MODELLER model-dimer.py (Click to download) ############### from modeller import * from modeller.automodel import * #from modeller import soap_protein_od env = environ() env.io.hetatm = True a = automodel(env, alnfile='TvLDH-1bdm.ali', knowns='1bdm', sequence='TvLDH', assess_methods=(assess.DOPE, ...

insilicoengine

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