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Can't select all side chains for 3JC8 #44

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FedeClaudi opened this issue Jul 11, 2022 · 4 comments
Closed

Can't select all side chains for 3JC8 #44

FedeClaudi opened this issue Jul 11, 2022 · 4 comments

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@FedeClaudi
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Hey,

I've been using chain_number and MOL_select_atoms to differently style different chains in protein complexes. So far it mostly worked but I'm struggling with 3JC8

I can load the whole thing
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and select a few chains:
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however if I try to select something else I don't see anything
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even though I can see 7.k instances exist:
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if I merge the two selection I see something, but the style is not applied correctly:

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if I use Cycles I can see the second selection:
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but if I merge both the color gets changed
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different ways to enforce the restriction doesn't help either:
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Some more attempts. This selects a bunch of chains
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but if the second threshold is >19:
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This way of selecting chains worked perfectly with all other proteins I've done so far, so I don't think I'm doing something wrong here. Perhaps there's something wrong in the way the chain number is represented?

@BradyAJohnston
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BradyAJohnston commented Jul 11, 2022

The Atoms EEVEE node is a bit buggy, it doesn't do individual chain colouring above about 10 or so chains. This is due to some underlying problems with how it's executed, and I just haven't put in the time to make it more robust to handle more chains.

I recommend if possible to use the regular cycles atoms, if you need the per-chain colouring, or use ribbon or surface style for more chains with different colours.

For the kind of per-chain colouring that you are doing as well, you can use the Style Colour Manual node which lets you colour based on a selection, rather than having to split apart and then join back together:

image

It seems to be a blender-related bug that is causing the atoms to lose colour when they are split apart and joined back together, it's something that I haven't been able to solve myself. A workaround is to use the "Geometry to Instance" node on one of them before joining them back together to maintain the colour.

image

@FedeClaudi
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Thanks for getting back to me so quickly. Indeed both solutions work: using ribbon/surface I can style more chains or using the Cycles atoms styles I can also do the same.
However while MOL_style_color lets me apply the color, MOL_style_manual_color doesn't:
image
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Anyway this solution works for me, thank you!

@FedeClaudi
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With a bit of work I can color all the chains
image

Molecular nodes is more fun than it ought to be, if I don't meet my PhD thesis deadline I will hold you personally responsible :)

@BradyAJohnston
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Ha, I have already missed my thesis deadlines because I've been developing this project instead, so you'll be in good company!

Re: the MOL_style_manual_colour node, you need to have a material applied, so either unmute the previous MOL_style_colour node or use a "Set Material" node afterwards to apply the molecular material and it should work!

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