Result: SWIFT MODELLER: a Java based GUI for molecular modeling.

Title:
SWIFT MODELLER: a Java based GUI for molecular modeling.
Authors:
Mathur A; Department of Biotechnology, Birla Institute of Technology, Mesra, 835215 Jharkhand, India., Shankaracharya, Vidyarthi AS
Source:
Journal of molecular modeling [J Mol Model] 2011 Oct; Vol. 17 (10), pp. 2601-7. Date of Electronic Publication: 2011 Jan 22.
Publication Type:
Journal Article; Research Support, Non-U.S. Gov't
Language:
English
Journal Info:
Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE
Imprint Name(s):
Original Publication: Berlin : Springer, c1996-
References:
Protein Sci. 2004 Apr;13(4):1071-87. (PMID: 15044736)
Protein Eng Des Sel. 2006 Mar;19(3):129-33. (PMID: 16423846)
J Mol Biol. 1993 Dec 5;234(3):779-815. (PMID: 8254673)
Biochem Mol Biol Educ. 2006 Jul;34(4):255-61. (PMID: 21638687)
BMC Res Notes. 2010 Aug 16;3:226. (PMID: 20712861)
Protein Sci. 2000 Sep;9(9):1753-73. (PMID: 11045621)
Entry Date(s):
Date Created: 20110125 Date Completed: 20120221 Latest Revision: 20211020
Update Code:
20250114
DOI:
10.1007/s00894-011-0960-4
PMID:
21258829
Database:
MEDLINE

Further Information

MODELLER is command line argument based software which requires tedious formatting of inputs and writing of Python scripts which most people are not comfortable with. Also the visualization of output becomes cumbersome due to verbose files. This makes the whole software protocol very complex and requires extensive study of MODELLER manuals and tutorials. Here we describe SWIFT MODELLER, a GUI that automates formatting, scripting and data extraction processes and present it in an interactive way making MODELLER much easier to use than before. The screens in SWIFT MODELLER are designed keeping homology modeling in mind and their flow is a depiction of its steps. It eliminates the formatting of inputs, scripting processes and analysis of verbose output files through automation and makes pasting of the target sequence as the only prerequisite. Jmol (3D structure visualization tool) has been integrated into the GUI which opens and demonstrates the protein data bank files created by the MODELLER software. All files required and created by the software are saved in a folder named after the work instance's date and time of execution. SWIFT MODELLER lowers the skill level required for the software through automation of many of the steps in the original software protocol, thus saving an enormous amount of time per instance and making MODELLER very easy to work with.