oeommtools | Tool collection to integrate and mix OpenEye and OpenMM | Awesome List library

by oess Python Version: 0.1.14 License: Non-SPDX

X-Ray Key Features Code Snippets(1)Community Discussions(2)Vulnerabilities Install Support

kandi X-RAY | oeommtools Summary

oeommtools is a Python library typically used in Awesome, Awesome List applications. oeommtools has no bugs, it has no vulnerabilities, it has build file available and it has low support. However oeommtools has a Non-SPDX License. You can download it from GitHub.

These are a collection of tools developed to integrate and mix the OE Toolkit with the OpenMM API.

Support

Quality

Security

License

Reuse

Support

oeommtools has a low active ecosystem.

It has 9 star(s) with 1 fork(s). There are 6 watchers for this library.

It had no major release in the last 12 months.

There are 4 open issues and 4 have been closed. On average issues are closed in 146 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of oeommtools is 0.1.14

Quality

oeommtools has no bugs reported.

Security

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

License

oeommtools 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

oeommtools releases are available to install and integrate.

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

Installation instructions, examples and code snippets are available.

Top functions reviewed by kandi - BETA

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

R OESolvate a molecule
Splits a complex into two molecules
Select OEMOL atom index by language
Set the package version
Cleanup build files
Remove all files in a directory
Remove pyc files
Removes pycache directories
Cleanup documentation

Get all kandi verified functions for this library.

oeommtools Key Features

No Key Features are available at this moment for oeommtools.

oeommtools Examples and Code Snippets

OEOMMTools,Usage

Python

Lines of Code : 31

License : Non-SPDX (NOASSERTION)

Copy

from oeommtools import packmol
from openeye import oechem
from openeye import oeomega

# Benzene smiles string
benzene = 'c1ccccc1'
# Empty OEMol
solute = oechem.OEMol()


# Conformer generation
omegaOpts = oeomega.OEOmegaOptions()
omegaOpts.SetMaxCo

Community Discussions

Trending Discussions on Awesome List

Is ESLint a Vim plugin?

R Extending each list level by new elements

QUESTION

Is ESLint a Vim plugin?

Asked 2022-Feb-12 at 01:35

Vim Awesome lists ESLint as a plugin: https://vimawesome.com/plugin/eslint. However, also on that page it says "...your plugins (and ESLint) are ..." implying ESLint is not a Vim plugin.

I am trying to work out how to apply ESLint to JavaScript files I am writing in Vim. I would like to do so (at least initially) without any plugins. I think it might help me to achieve this if I knew whether or not ESLint is a Vim plugin or not.

...

ANSWER

Answered 2022-Feb-12 at 01:35

No. It is a general linter for javascript. See https://eslint.org/

If you want to use ESLint in Vim, you can use a vim plugin (such as ALE or the eslint vim plugin) to help you. Or you can use the command line interface eslint offers if you don't want to use plugins.

Source https://stackoverflow.com/questions/71087803

QUESTION

R Extending each list level by new elements

Asked 2021-Apr-12 at 14:41

I'm looking for a way to automatically add new list elements/levels to an existing list:

my real-life use case has several thousand elements to add, so the manual example below for adding two elements is not feasible anymore,
I need a list because that's the format expected by an API I'm trying to access.

Example:

...

ANSWER

Answered 2021-Apr-12 at 14:41

Iterate over names using map or using the same arguments replace map with lapply in which case no packages are needed.

Source https://stackoverflow.com/questions/67060194

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

Vulnerabilities

No vulnerabilities reported

Install oeommtools

conda install -c openeye/label/Orion oeommtools -c omnia.

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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