smina

by dualword C++ Version: Current License: Apache-2.0

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kandi X-RAY | smina Summary

smina is a C++ library. smina has no bugs, it has no vulnerabilities, it has a Permissive License and it has low support. You can download it from GitHub.

smina is a fork of autodock vina (that focuses on improving scoring and minimization. changes from the standard vina (version 1.1.2) include: -comprehensive support for ligand molecular formats (via openbabel)* -support for multi-ligand files (e.g., an sdf file)* -support for addition term types (e.g., desolvation, electrostatics) -support for custom, user-parameterized scoring functions (see --custom_scoring) -automatic box creation based on a user-specified bound ligand -allow the output of more than 20 docking poses -vastly improved minimization algorithms (--minimize goes to convergence) -experimental easily define flexible residues of receptor (--flexres and --flexdist). for workflows where autodock vina is used for minimization (local_only) as opposed to of docking, these changes make vina

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Support

smina has a low active ecosystem.

It has 0 star(s) with 0 fork(s). There are 1 watchers for this library.

It had no major release in the last 6 months.

smina has no issues reported. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of smina is current.

Quality

smina has no bugs reported.

Security

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

License

smina is licensed under the Apache-2.0 License. This license is Permissive.

Permissive licenses have the least restrictions, and you can use them in most projects.

Reuse

smina releases are not available. You will need to build from source code and install.

Installation instructions are not available. Examples and code snippets are available.

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smina Key Features

No Key Features are available at this moment for smina.

smina Examples and Code Snippets

No Code Snippets are available at this moment for smina.

Community Discussions

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

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

Vulnerabilities

No vulnerabilities reported

Install smina

You can download it from GitHub.

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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