Select segnames or segids

nglviewer / ngl

WebGL protein viewer

http://nglviewer.org/ngl/

MIT License

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Select segnames or segids #732

Open sperezconesa opened 4 years ago

sperezconesa commented 4 years ago

Hello,

I have noticed that eventhough you can select chains as :A, it seems not to be possible to select by segid (MDAnalysis) or segname (vmd) like PROA. This would be usefull since psfs don't seem to have chain but rather segnames or segids. I think this would be a useful feature for representations, if it is not implemented and I have just missed it.

Best, Sergio

fredludlow commented 4 years ago

I've not come across it and googling suggests it's officially deprecated? But if it's widely used in practice (looks like CHARMM uses it?) then it would be a nice addition. The steps required would be:

1) Update the PDB parser and Structure classes so that the values are read and stored 2) Come up with a selection syntax compatible with the existing ones and implement

sperezconesa commented 4 years ago

I don't know if it is deprecated in some programs but CHARMM-GUI uses it and everybody in membrane protein comunity uses CHARMM-GUI to build systems. I think it is a nice addition at a small cost. Thanks for considering it.