2
I Use This!
Very Low Activity
Analyzed 2 days ago. based on code collected 3 days ago.

Project Summary

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools into python scripts. This is generally superior to shell scripts because of python’s better error handling and superior data structures. It also allows for modularization and code re-use. In addition, commands, warnings and errors are logged to a file so that there exists a complete history of what has been done.

Tags

analysis gromacs moleculardynamics python science simulations

In a Nutshell, GromacsWrapper...

GNU General Public License v3.0 or later
Permitted

Commercial Use

Modify

Distribute

Place Warranty

Use Patent Claims

Forbidden

Sub-License

Hold Liable

Required

Distribute Original

Disclose Source

Include Copyright

State Changes

Include License

Include Install Instructions

These details are provided for information only. No information here is legal advice and should not be used as such.

This Project has No vulnerabilities Reported Against it

Did You Know...

  • ...
    55% of companies leverage OSS for production infrastructure
  • ...
    learn about Open Hub updates and features on the Open Hub blog
  • ...
    in 2016, 47% of companies did not have formal process in place to track OS code
  • ...
    check out hot projects on the Open Hub

Languages

Python
99%
2 Other
1%

30 Day Summary

May 24 2022 — Jun 23 2022

12 Month Summary

Jun 23 2021 — Jun 23 2022
  • 48 Commits
    Up + 39 (433%) from previous 12 months
  • 1 Contributors
    Down -3 (75%) from previous 12 months

Ratings

2 users rate this project:
4.5
   
4.5/5.0
Click to add your rating
  
Review this Project!