From e2066af841c6e705d155aac21420736135cc4c11 Mon Sep 17 00:00:00 2001 From: Phil Biggin <51948186+philbiggin@users.noreply.github.com> Date: Mon, 14 Oct 2024 11:27:09 +0100 Subject: [PATCH] Update README.md --- README.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index c450d4a..fb5e341 100644 --- a/README.md +++ b/README.md @@ -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