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JCSG Structure Validation Central

Part of our mission is to create a high-throughput module for structure validation as an aid to JCSG as well as crystallographers world-wide. We are attempting to create a tool page that can be used as a one-stop-shop during refinement. The goal is to make it easier for the human to compare model and data interactively, and to compare the result with existing theory and data regarding protein structures. In this regard we are inspired by the decades of work by crystallography programmers, who have created the wonderful tools we use here, and those we hope to incorporate, including for example, the OOPS! and What-If programs.

As noted by Gerard Kleywegt in his recent review of the structure validation field [G. Kleywegt (2000) Acta Cryst. D56, 249-265], one can evaluate data quality, resultant models relative to known structures, and models in comparison with experimental data from which they are created. We plan to pursue all 3 aspects of validation at JCSG.

We are pleased to announce the release of our first prototype tool for model evaluation:

The Protein Structure Quality Score (PSQS) . This is a tool developed at JCSG in partnership with Adam Godzik's Burnham Institute research group. This tool is in active development, and is a research tool for improving our ability to evaluate protein models, and our ability to model proteins.

We have also created an interface that integrates several common tools for evaluating data and structure models individually, and together. This interface is also in development, and currently exists as two separate prototype forms. Click on the image of TM0449 to activate your choice.


1. This tool integrates 7 tools in a single interface
2. Protein structure validation server.
Try these tools and contact us (see link below) and tell us how you like them. We will be grateful for feedback on what is good and what is not, and what tools you would like to see added.