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Description
This FormatConvert originally comes from .cif file format incompatibility in OVITO. Because ioNERDSS provide the monomer coarse-grained model and the interactions both in model.json and the full structure + CG structure in visualize_coarse_grained_structure.cif, the output might be confusing and not user friendly when trying to visualize.
The question is should we merge this into ioNERDSS or keep separate?
We also have a few things to consider:
- Currently I hard code in the bond informaiton (the logic is connecting each
COM(center of mass) to allINT(interface) of the same name of molecule). This means that it can only parse thevisualize_coarse_grained_structure.cifoutput. If we merge, we might want to consider a more broad interface, accepting an optional bonds file for universal application, which keep the simplevisualize_coarse_grained_structure.cifcase. - Or we can also integrate it into output module of
PDBModelin ioNERDSS, which means that we can directly output other format, instead of outputing.cifthen converting
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