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rotamerconvolvemd

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Analysis of protein MD trajectories or conformational ensembles in terms of DEER of PRE spin-label distances

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::rotamerconvolvemd

Usage Tracking

1.3.2
1.2.0
2 / 8 versions selected
Downloads (Last 6 months): 0

Description

This package analyses molecular dynamics trajectories or conformational ensembles in terms of spin-label distances as probed in double electron-electron resonance (DEER) experiments and spin-label to amide protin distances as probed in paramagnetic relaxation enhancement (PRE) experiments. The spin labels are fitted on trajectories and the spin label mobility is taken into account using a rotamer library.

About

Summary

Analysis of protein MD trajectories or conformational ensembles in terms of DEER of PRE spin-label distances

Last Updated

Jul 12, 2020 at 08:13

License

GPL-2.0-only

Total Downloads

18.4K

Supported Platforms

noarch

Unsupported Platforms

linux-64 Last supported version: 1.2.0
macOS-64 Last supported version: 1.2.0