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Update README.md
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philbiggin authored Oct 14, 2024
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Expand Up @@ -27,11 +27,12 @@ Recent advances in structural biology have led to a growing number of ion channe
- Other tools, such as MOLEonline and CAVER, do not use a probe based algorithm for path finding. Cavities are identified using Voronoi diagrams and molecular surfaces.

#### What does this package add?
- Adding new features to pore-path-finding tools to capture pore asymmetry.
- Adding new features to pore-path-finding tools to capture pore asymmetry with ellipsoidal probe particles.
- Capture pore asymmetry.
- Asymmetry of crystal/cryoEM structures due to heterogeneous subunit composition.
- From crystal structure broken in simulations.
- Making software tools accessible to the community via an interactive web-service. No installation needed when using the web-page. For python users, we publish an easy-to-install python package.
- Making software tools accessible to the community via an interactive web-service. No installation needed when using the web-page. For python users, we publish an easy-to-install python package.
- Furthermore, we make use of the more accurate characterization of channel pores to refine a physical conductance model to obtain a heuristic estimate for single-channel conductance


# Path finding with ellipsoidal probe particle
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