MaxSprout

MaxSprout is a fast database algorithm for generating protein backbone and side chain co-ordinates from a C(alpha) trace. The backbone is assembled from fragments taken from known structures. Side chain conformations are optimised in rotamer space using a rough potential energy function to avoid clashes.

For more information about this tool see:

• EBI Tools:
  • MaxSprout
  • MaxSprout Help

For details of the service used by these clients see MaxSprout Web Service.

The Microsoft .NET runtime is already installed on most MS Windows systems. The Microsoft .NET runtime is available via Microsoft Update or as a download (see http://msdn.microsoft.com/netframework/).

For MacOS X, Linux and other non-Windows systems see Mono or DotGNU.

Download the C# client:

• Executable: wsmaxsprout.exe
• Source code: wsmaxsprout.cs

Run without arguments to get a usage summary:

wsmaxsprout.exe

Download and unzip the library files lib-1.4.zip and add the jars to the Java classpath.

Download the Java client:

• Executable: WSMaxsprout.jar
• Source code: WSMaxsproutClient.java

To get usage information run the client without arguments:

java -Djava.ext.dirs=lib -jar WSMaxsprout.jar

To run the Perl client you need to install SOAP::Lite first. SOAP::Lite is a collection of Perl modules which provides a simple and lightweight interface to SOAP for both client and server applications. This client requires SOAP::Lite version 0.60.

Download the Perl client: maxsprout.pl.

To get information on the available options and usage of the client, run without specifying any options:

perl maxsprout.pl

Workflow engines such as Taverna and Triana offer a simple way of combining individual web services into complex applications.

A basic workflow showing how to use WSMaxsprout can be found on myExperiment.