Web service for simulations on a user-provided energy landscape
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README.md

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This is the source code for AllosMod and AllosMod-FoXS, web services to set up and run simulations based on a modeled energy landscape that you create. It uses the Sali lab web framework as well as the base AllosMod library.

See P. Weinkam, J. Pons, and A. Sali, Proc Natl Acad Sci USA., (2012) 109 (13), 4875-4880 for details.

Setup

First, install and set up the Sali lab web framework and the base AllosMod library.

The web service expects to find an allosmod module, i.e. it runs module load allosmod. This module should put the allosmod binary from the base library in the system PATH. The library is used by all parts of the web service, including jobs that run on the cluster, so it must be installed on a network filesystem that is visible to all nodes.

You will also need to modify the paths in the web service's conf/live.conf file to match your installation.