Semi-automated algorithm for homology modelling

Project Info

1)Goal of this project was to automatically predict the structure of proteins with minimal user intervention.

2)Accelry's Insight II Biosym command language was used for developing scripts to test the developed algorithm.

3)The script selects the user defined template and query sequence, retrieves the files from their respective memory locations, fixes the hydrogen atoms of the templates. It automatically switches to the homology module of Insight II software, extracts the sequence of the templates and does a structural alignment and hence aligning their sequences. The script reads query sequence and aligns the query to already aligned template sequences. Finally a background job is submitted to generate the model structures using the modeller.