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Direct links to tset mols do not work after the recent update #270

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OleinikovasV opened this issue Dec 4, 2021 · 6 comments
Open

Direct links to tset mols do not work after the recent update #270

OleinikovasV opened this issue Dec 4, 2021 · 6 comments

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@OleinikovasV
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We have been working for a while on COVID Moonshot and having the structures have been indispensable resource:
https://fragalysis.diamond.ac.uk/viewer/react/preview/target/Mpro/

One feature that was very useful is the direct links to molecules, eg.:
https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/x11812/L/P/C
These are no longer working with the updated production version. The link just does not open.

@OleinikovasV
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Another related feature that was very handy is the cset molecules for computed items, as described here:
https://discuss.postera.ai/t/providing-computed-poses-for-others-to-look-at/1155
However, I am not sure if the same feature of direct links have worked before, as this was not documented. But it would be really useful to be able to use direct links for these molecules, too. Is that implemented?

@rsanchezgarc
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We have fixed the direct links for compounds. https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/x11812/L/P/C should work now.

The second feature you comment on is not implemented. Since it is very interesting, we will study how to implement it

Thanks!

@OleinikovasV
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@rsanchezgarc , thanks for looking into the proposed feature. It seems like it has now been closed.
Does it mean it has been implemented? If so, maybe you could point to an example how to use it.
Also, it might be a good time to close this issue, too. WDYT?

Cheers,
Vladas

@rsanchezgarc
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@boriskovar-m2ms
Hi Boris, could you provide an example of how to get the RHS compound direct links that was implemented in m2ms#702

@boriskovar-m2ms
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Direct links for RHS were never implemented. It seems that you closed the issue and the automation moved the issue to Approved in staging swimlane and then it was moved with other issues to Production swimlane.
image

@rsanchezgarc
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Thanks!

I reopened it

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3 participants