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Analyzed 27 days ago. based on code collected 27 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.

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analysis gromacs moleculardynamics python science simulations

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In a Nutshell, GromacsWrapper...

GNU General Public License v3.0 or later
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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

Mar 31 2018 — Apr 30 2018

12 Month Summary

Apr 30 2017 — Apr 30 2018
  • 9 Commits
    Down -151 (94%) from previous 12 months
  • 1 Contributors
    Down -7 (87%) from previous 12 months