Homology Modelling


Homology modeling has become a key component in structural bioinformatics for prediction of the three-dimensional structure of proteins from their sequences due to availability of huge amount of protein sequence data and the growing number of known structures. It becomes even more useful when constraints from X-ray diffraction or NMR are not yet available. Many tools have been developed for homology modeling out of which the most popular and widely used is MODELLER developed by Prof. A. Sali and co-workers. MODELLER stands apart from other packages due to its free availability, powerful features and reliable results. But most users find it a bit difficult to start with MODELLER as it is command line based and requires knowledge of basic Python scripting to use it efficiently. A freely available GUI for this great package would thus be very helpful to exploit the powers of this homology modeling package by everyone. EasyModeller is a frontend graphical interface to MODELLER developed using Perl/Tk, which can be used as a standalone tool in windows platform with MODELLER and Python preinstalled. The aim of this tool is to help inexperienced users as well as regular users to perform modeling, assessment, visualization, and optimization of protein models in a simple and straightforward way. EasyModeller can produce 3D structural models of proteins from sequence and given template(s) information using MODELLER in backend. A detailed help is provided for every step with robust error handling.

I have developed a GUI to MODELLER ,which is a standalone executable that runs on windows platform and needs you to have just MODELLER and Python installed in your system.You need not require to know any scripting,just a user friendly GUI guides you through the entire process of modelling.

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Kuntal Kumar Bhusan
University of Hyderabad

Publication Link : click here
Pubmed ID : 20712861
EasyModeller: A graphical interface to MODELLER.
Kuntal BK, Aparoy P, Reddanna P.
BMC Res Notes. 2010 Aug 16;3(1):226.

kuntal bhusan,
Jul 24, 2012, 8:08 AM