openmm_orion | running MD on the OpenEye Cloud Computing Platform Orion

by oess Python Version: 4.0.2 License: Non-SPDX

X-Ray Key Features Code Snippets Community Discussions Vulnerabilities Install Support

kandi X-RAY | openmm_orion Summary

openmm_orion is a Python library. openmm_orion has no bugs, it has no vulnerabilities, it has build file available and it has low support. However openmm_orion has a Non-SPDX License. You can download it from GitHub.

Cubes and Floes for running MD on the OpenEye Cloud Computing Platform Orion

Support

Quality

Security

License

Reuse

Support

openmm_orion has a low active ecosystem.

It has 15 star(s) with 9 fork(s). There are 18 watchers for this library.

It had no major release in the last 12 months.

There are 10 open issues and 23 have been closed. On average issues are closed in 61 days. There are 1 open pull requests and 0 closed requests.

It has a neutral sentiment in the developer community.

The latest version of openmm_orion is 4.0.2

Quality

openmm_orion has no bugs reported.

Security

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

License

openmm_orion has a Non-SPDX License.

Non-SPDX licenses can be open source with a non SPDX compliant license, or non open source licenses, and you need to review them closely before use.

Reuse

openmm_orion releases are available to install and integrate.

Build file is available. You can build the component from source.

Top functions reviewed by kandi - BETA

kandi has reviewed openmm_orion and discovered the below as its top functions. This is intended to give you an instant insight into openmm_orion implemented functionality, and help decide if they suit your requirements.

Process an edge
Checks the grompp for valid gromacs
Download the Parmed Reference structure from the record
Write record to OEDB
Extracts a trajectory aligned to the ligand
Determine the maximum water of a ligand
Compute the squared distance between two points
Process a record into a cluster
Applies the style to the plot
Process a conftraj file
Setup the MD setup
Process a single MD record
Download the report
Predictions from RBF
Subfloe subfloe
Process an OEVE record
Process a record
Converts ligand to SVG
Calculate the OT interaction energy cube
Process the cube
Process a single MD trajectory analysis
Process a single record
Make HTML table for clustering
Run gmx run
Process a single record
Parses the MD components from the MD component

Get all kandi verified functions for this library.

openmm_orion Key Features

No Key Features are available at this moment for openmm_orion.

openmm_orion Examples and Code Snippets

No Code Snippets are available at this moment for openmm_orion.

Community Discussions

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

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

Vulnerabilities

No vulnerabilities reported

Install openmm_orion

You can download it from GitHub.
You can use openmm_orion 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.

Support

For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .

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