PraljakReps / TMalign_for_design_predictions

Tmalign algorithm for high-throughput TMscore retrieval for a library of design sequences with structure predictions

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Welcome to TMalign for Design Predictions!

Dive into the World of Protein Structure Analysis! Are you ready to explore the fascinating realm of protein design predictions with unparalleled ease? TMalign is your go-to tool for high-throughput TMscore retrieval, offering a seamless way to compare your library of predicted protein structures against a ground truth PDB structure. Whether you're a seasoned researcher or just starting out, TMalign is designed to streamline your workflow and enhance your research capabilities.

Why Choose TMalign for Your Research?

Efficiency at Its Best: With TMalign, you can quickly compute and extract TMscores, saving you valuable time and effort. Accuracy You Can Trust: Get reliable, precise comparisons between your predicted structures and the ground truth. User-Friendly Process: Our straightforward approach means you spend less time figuring out software and more time making groundbreaking discoveries.

Getting Started: Unleash the Power of TMalign

Step 1: Compute TMscores

Compute TMscores between a ground structure and a library of design sequences

cd scripts
sh compute_TMscore.sh

Step 2: Extract Your Insights

Extract TMscores from output files which were created by TMalign algorithm:

cd scripts
sh extract_TMscores.sh 

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Tmalign algorithm for high-throughput TMscore retrieval for a library of design sequences with structure predictions

License:MIT License


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