A new wrapper for Delphi was developed

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lli5
Posts: 38
Joined: Thu Sep 22, 2011 8:44 am

A new wrapper for Delphi was developed

Post by lli5 » Thu Nov 03, 2011 2:27 pm

Dear DelPhi Users,

Just a quick announcement regarding a new bioinformatics tool developed by Dr. Raik Grünberg. It is called Biskit (http://biskit.sf.net) and it is a python structural bioinformatics platform. Biskit contains a wrapper for Delphi

http://biskit.pasteur.fr/doc/wrappers/delphi

and offers a small pipeline

http://biskit.pasteur.fr/use/workflows/delphi

that automates the calculation of electrostatic free energies of binding for protein and DNA complexes: The input structure is protonated with the reduce program, chain breaks can be automatically detected and treated, Amber partial charges are assigned to every atom and compiled into a custom delphi charge file, delphi is run 6 times and binding energies are
calculated from the result.

The Biskit is also described and link is provided on DelPhi webpage:

http://compbio.clemson.edu/delphi_tools.php

For DelPhi Development Team,
Lin Li

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