InterMol | Conversion tool for molecular simulations

by shirtsgroup Python Version: v0.1.2 License: MIT

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

kandi X-RAY | InterMol Summary

InterMol is a Python library. InterMol has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. However InterMol has 3173 bugs. You can download it from GitHub.

InterMol is research software. If you make use of InterMol in scientific publications please cite the following reference:.

Support

Quality

Security

License

Reuse

Support

InterMol has a low active ecosystem.

It has 147 star(s) with 53 fork(s). There are 22 watchers for this library.

It had no major release in the last 12 months.

There are 79 open issues and 197 have been closed. On average issues are closed in 173 days. There are 5 open pull requests and 0 closed requests.

It has a neutral sentiment in the developer community.

The latest version of InterMol is v0.1.2

Quality

InterMol has 3173 bugs (1 blocker, 0 critical, 2948 major, 224 minor) and 625 code smells.

Security

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

InterMol code analysis shows 0 unresolved vulnerabilities.

There are 374 security hotspots that need review.

License

InterMol is licensed under the MIT License. This license is Permissive.

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

Reuse

InterMol releases are available to install and integrate.

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

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

It has 51562 lines of code, 429 functions and 321 files.

It has medium code complexity. Code complexity directly impacts maintainability of the code.

Top functions reviewed by kandi - BETA

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

Parses a structure file
Loads M_AToms file
Split line with quotes
Retrieve the fio data for a given ffio type
Summarize energy results
Find the matching key in the dictionary
Compute the energies for a given MDP file
Extract energy values from an mdout file
Parse pair pairs
Match two forces
Build a dictionary of unit variables
Given a set of unit units return a list of tuples
Load a Gromacs file
Return a list of tuples representing the given units
Parse command line arguments
R Save a Lammps file
Parse angle
Parse torsion - torsion - torsion - torsion
Parse bond forces
Convert a dictionary of energy names to canonical form
Load Amber files
Parse dihedrals
Parse the ATOM lines
Calculate the canonical force scale
Parse the ffio file
Load the parameter and structure files
Saves the charmm structure

Get all kandi verified functions for this library.

InterMol Key Features

No Key Features are available at this moment for InterMol.

InterMol Examples and Code Snippets

No Code Snippets are available at this moment for InterMol.

Community Discussions

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

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

Vulnerabilities

No vulnerabilities reported

Install InterMol

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

Find more information at: