A tool to draw Graphene Oxide 3D chemical structures.(Python 3.6)
original code https://github.com/Ngtungfei/Graphene-Oxide-Generator2.git
small amendments by punkpony, 5th Feb 2020
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tidy up the look
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fixed the problem of not displaying structures after first time
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possible not to remove edge/bulk carbons
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not compulsory to add -C=O and -COOH to the edges
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can choose to add -O- only or -OH only or both
Would be nice to:
- output in .pdb or .gro
- allow for periodic surface
- only add -C=O and -COOH to internal holes, not on the edge of the box