Message to users
I joined Institute of Microbial Technology (IMTECH), Chandigarh in 1986 as computer scientist, my primary duty was to provide computer services to IMTECH. In 1990, first scientific program ELISAeq was developed for computing antigen/antibody concentration from ELISA data in GW-BASIC. Later on methods was developed for predicting protein structures, all these programs was developed for DOS/Windows using programming various languages like FORTRAN, PASCAL, C. These programs were distributed free for academic users via floppy or CD. Though these programs were user-friendly, but one needs to have a hardware/software compatibility and knowledge of installation, in order to run them. To overcome this problem, we started developing web services instead of standalone software. These web servers only need to have a computer with browser and access to internet.
In 1998, I established my group with few PhD students having an objective to solve biological problems. In last ten years our group has developed more than 100 web servers in the field of bioinformatics.
There are number of challenges in utilizing the full potential of these softwares like 1) internet speed 2) Limit of Computoing power 3) Security of data.
In an urge to comply with these demands our group released GPSR package , which is a collection and integration of computer programs developed at our group from 1990 to 2008.
Our group is strong supporter for open science, all software developed by our group are free to use for all users. In 2009, group take initiative to develop free software in the field of computer-aided drug design (e.g., QSAR, Cheminformatics, Pharmacoinformatics). Group joined OSDD , A Open Source Drug Discovery, and developed in silico module OSDD called Computational Resources for Drug Discover (CRDD, http://webs.iiitd.edu.in/crdd/). In order to provide customize operating system to scientific community working in the field of computer-aided drug discovery, group developed OSDDlinux (http://osddlinux.osdd.net/) in year 2012.
Till date our group developed 250 web servers/databases over the years, which are heavily used scientific community (more than 1,50,000 hits per day). Though these web-based services are heavily used by community still user cannot run our services at genome scale. In order to provide full potential of our web-based service to scientific community, we make another attempt by developing GPSRdocker (http://webs.iiitd.edu.in/gpsrdocker/) a container contain all software/web servers.
This manual describes GPSRdocker a container for software packages developed at our group. I wish all the best for our users.
Professor G.P.S. Raghava