# Dymachandran Documentation
Dymachandran is a Python tool that uses MDAnalysis functions to create a dynamic and interactive Ramachandran plot for analyzing and validating protein structures from molecular dynamics simulations.
# Installation
`pip install dymachandran`
# Requirements
-Python 3.9 or higher
-numpy
-pandas
-plotly.express
-argparse
-PIL
-MDAnalysis
-multiprocessing
-progressbar2
-requests
# Usage
Dymachandran takes topology and trajectory files from a molecular dynamics simulation as input and generates an HTML file as output.
usage:
`dymachandran.py [-h] "topology_file.gro" "trajectory_file.xtc" "num_processes" "output_file.html"`
positional arguments:
topology : path to the topology file
trajectory : path to the trajectory file
num_processes : number of processes
output_file : name of output file
optional arguments:
-h, --help :show this help message and exit
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"description": "# Dymachandran Documentation\r\nDymachandran is a Python tool that uses MDAnalysis functions to create a dynamic and interactive Ramachandran plot for analyzing and validating protein structures from molecular dynamics simulations.\r\n# Installation\r\n\r\n`pip install dymachandran` \r\n\r\n# Requirements\r\n\r\n-Python 3.9 or higher\r\n\r\n-numpy\r\n\r\n-pandas\r\n\r\n-plotly.express\r\n\r\n-argparse\r\n\r\n-PIL\r\n\r\n-MDAnalysis\r\n\r\n-multiprocessing\r\n\r\n-progressbar2\r\n\r\n-requests\r\n\r\n# Usage\r\n\r\nDymachandran takes topology and trajectory files from a molecular dynamics simulation as input and generates an HTML file as output.\r\n\r\nusage: \r\n`dymachandran.py [-h] \"topology_file.gro\" \"trajectory_file.xtc\" \"num_processes\" \"output_file.html\"`\r\n\r\npositional arguments:\r\n\r\ntopology \t: path to the topology file\r\n\r\ntrajectory \t: path to the trajectory file\r\n\r\nnum_processes \t: number of processes\r\n\r\noutput_file \t: name of output file \r\n\r\noptional arguments:\r\n -h, --help :show this help message and exit\r\n\r\n\r\n",
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