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Loop Modeling Guide.pdf

Workshop8_PyRosetta_Loop_Modeling.pdf
Preview of Loop Modeling Guide
🔗 Source: graylab.jhu.edu
📊 Size: 363 KB
👤 Author: Alex Mathews;Jason W. Labonte
⬇️ Downloads: 292

Summary

Loop modeling is an important step in building homology models, designing enzymes, or docking with flexible loops. A fold tree is used to isolate conformational changes to the loop region, and a loop can be defined using the Loop class. The Cyclic Coordination Descent (CCD) loop closure algorithm is implemented as a Mover, and multiple loops can be stored in a Loops object. A loop protocol can be written to build the loop at low-resolution using fragments, and loop RMSD can be measured in a fixed reference frame of the whole protein. High-resolution loop optimization needs smaller perturbations, and the classic Rosetta loop refinement protocol is available as a Mover.

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Description

Loop modeling is an important step in building homology models, designing enzymes, or docking with flexible loops.

Technical Information

  • File Format: PDF
  • File Size: 363 KB
  • Pages: 7
  • Language: EN
  • Author: Alex Mathews;Jason W. Labonte
  • Total Downloads: 292
  • Last Updated: 7 days ago

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This PDF document about Loop Modeling Guide provides comprehensive information and guidance. Whether you're a beginner or advanced user, this resource offers valuable insights into Loop Modeling Guide.

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Loop guideLoop tutorialModeling guideModeling tutorialGuide guideGuide tutorial

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