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biasmv / pv

WebGL protein viewer
https://pv.readthedocs.org
MIT License
319 stars 86 forks source link

SDF file #79

Closed andreassteffen closed 9 years ago

andreassteffen commented 9 years ago

Hi, are you considering adding support for SD files? That would enable being able to load 3D structures of small molecules (e.g. docking poses) into the viewer. Cheers, Andreas

biasmv commented 9 years ago

Hi,

I've pushed a very simple parser for the SDfile format. It supports reading of atom data and connectivity table. In case multiple molecules are present, they are imported into the same structure, but as different chains.

The parser does not read any other information at the moment, for example custom properties, bond order, charge etc, so if you need that, support would have to be added.

andreassteffen commented 9 years ago

many thanks, that's great! bond order would be good, but it's already a great start!