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Analyzed 1 day ago. based on code collected 2 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
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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

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Languages

Languages?height=75&width=75
Python
99%
2 Other
1%

30 Day Summary

Feb 5 2021 — Mar 7 2021

12 Month Summary

Mar 7 2020 — Mar 7 2021
  • 7 Commits
    Down -29 (80%) from previous 12 months
  • 4 Contributors
    Down -1 (20%) from previous 12 months

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