mmdemux | extract_trajectory function in the current version

 by   simomarsili Python Version: Current License: MIT

kandi X-RAY | mmdemux Summary

kandi X-RAY | mmdemux Summary

mmdemux is a Python library. mmdemux has no bugs, it has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. You can download it from GitHub.

Motivation: the extract_trajectory function in the current version of yank (0.25.2) is not compatible with the replica exchange trajectory files generated by the current version of openmmtools (0.20.0) (check this issue). Install: clone the repo and install in a virtual environment using pip install . Needs yank. For a full list of dependencies, check the requirements.yml file.
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            kandi-support Support

              mmdemux has a low active ecosystem.
              It has 0 star(s) with 0 fork(s). There are 1 watchers for this library.
              OutlinedDot
              It had no major release in the last 6 months.
              mmdemux has no issues reported. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of mmdemux is current.

            kandi-Quality Quality

              mmdemux has no bugs reported.

            kandi-Security Security

              mmdemux has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

            kandi-License License

              mmdemux is licensed under the MIT License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              mmdemux releases are not available. You will need to build from source code and install.
              Build file is available. You can build the component from source.
              Installation instructions are not available. Examples and code snippets are available.

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            mmdemux Key Features

            No Key Features are available at this moment for mmdemux.

            mmdemux Examples and Code Snippets

            No Code Snippets are available at this moment for mmdemux.

            Community Discussions

            No Community Discussions are available at this moment for mmdemux.Refer to stack overflow page for discussions.

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install mmdemux

            You can download it from GitHub.
            You can use mmdemux like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

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            CLONE
          • HTTPS

            https://github.com/simomarsili/mmdemux.git

          • CLI

            gh repo clone simomarsili/mmdemux

          • sshUrl

            git@github.com:simomarsili/mmdemux.git

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