molani

automated molecular animator

Requirements

• vmd to set up scenes
• tachyon 0.99b6 ray tracer (bundled with vmd)
• imagemagick for annotation

Setup

You can install the latest version directly from GitHub.

pipx install -U git+https://github.com/theia-dev/molani.git#egg=molani]

Usage

• molani movie.json or mpirun -np 4 molani movie.json

movie.json

{
  "name": "cluster",
  "base_dir": "/media/scratch/cluster",
  "movie_name": "cluster_720",
  "height": 720,
  "rotations_per_minute": 0.0,
  "rotate_axis": "z",
  "final_scale": 1.0,
  "render_scale": 1.2,
  "periodic": "xyXY",
  "color_map": [["resname \"P.*\"", ["nipy_spectral", -0.1]], ["resname \"A.*\"", ["nipy_spectral", 0.1]]],
  "type": "cluster_set", 
  "depthcue": "off",
  "trajectory": "reduced",
  "meta_data": "cluster_ratio.json",
  "clean_up": false,
  "cpu_per_task": 3
}

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The full source code can be accessed on GitHub.