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README.md
aspirin.sdf
aspirin.wrl
command3D.py
realityconvert.py

README.md

RealityConvert

################## @uthor: Alexandre Borrel Contact: aborrel[at]ncsu.edu https://www.fourches-laboratory.com/ Date: 03-21-2017

RealityConvert is a software tool, which allows users to easily convert molecular objects (stored as pdb or sdf files) to high quality 3D models directly compatible for AR and VR applications. For chemical structures, in addition to the 3D model generation, RealityConvert also generates image trackers, useful to universally call and anchor that particular 3D model when used in various AR applications.

Dependencies

#####################

Developed and tested on linux (Ubuntu 16.04)

Requirements (Ubuntu 16.04):

  • Blender 2.76
  • pymol 1.7.x
  • molconvert (Marvin Beans suite Chemaxon)
  • Open Babel 2.4.1

Python (2.7) modules:

  • optparse
  • os
  • zipfile
  • pymol
  • bpy (Blender)
  • sys
  • shutil

Scripts .py descriptions

#################################

  • realityconvert.py: MAIN including pymol processing
  • command3D.py: script used by blender to convert WRL

additional files

######################

  • README.md: readme file
  • aspirin.sdf: example of sdf input file
  • aspirin.wrl: example of wrl input file

command lines

###################

  1. With wrl file $ ./realityconvert.py -w aspirin.wrl -o aspirin3D

  2. With a sdf or a pdb file $ ./realityconvert.py -i aspirin.sdf -o aspirin3D

  3. With tracker $ ./realityconvert.py -i aspirin.sdf -t 1 -o aspirin3D

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