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Enhancing UCSF Chimera through web services.

Conrad C Huang¹, Elaine C Meng¹, John H Morris¹

¹Resource for Biocomputing, Visualization, and Informatics, Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94143, USA.

Nucleic Acids Research

|May 28, 2014

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UCSF Chimera now integrates web services for enhanced molecular visualization and analysis. This simplifies complex computational tasks and database searches, allowing scientists to focus on research rather than data handling.

Area of Science:

Computational Biology
Structural Bioinformatics
Scientific Software Development

Background:

Desktop applications can be enhanced with web services for advanced features.
UCSF Chimera is a tool for molecular structure visualization and analysis.

Purpose of the Study:

To integrate web services into UCSF Chimera for expanded functionality.
To simplify user interaction with computationally intensive tasks and database searches.

Main Methods:

Enhanced UCSF Chimera by adding several web services.
Utilized the Opal toolkit to wrap scientific applications as web services.
Developed an example workflow demonstrating interleaved service use and interactive manipulation.

Main Results:

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Streamlined job submission, monitoring, and retrieval processes for web services.
Enabled scalable and transparent access to popular software packages via web services.
Provided a Python program example for accessing Opal-based web services.

Conclusions:

Integrating web services simplifies complex scientific workflows within Chimera.
The enhancements allow users to concentrate on scientific discovery instead of data management.
Opal-based web services offer accessible computational power for molecular analysis.