Opened 8 years ago

Closed 7 years ago

#851 closed enhancement (fixed)

List ligands in log when opening structure

Reported by: Tom Goddard Owned by: pett
Priority: minor Milestone:
Component: Structure Analysis Version:
Keywords: Cc: Elaine Meng
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

Would be very handy to list ligands in addition to chains in the log when opening a structure. Otherwise it takes a good bit of hunting to find what ligands a structure has.

For instance for 5isz which has glycerol :GOL residues would be nice to see in the same table as chains

:GOL glycerol

And have it a clickable link to select those. This is listed in the 5isz.cif file as a separate entity, and that would probably be the way to populate the table. It appears that is where the current descriptions that are logged for the chains comes from.

Change History (5)

comment:1 by pett, 8 years ago

Priority: majorminor
Status: assignedaccepted

comment:2 by pett, 7 years ago

Cc: Elaine Meng added
Status: acceptedfeedback

So the non-standard residues are now listed if you click the "more info" link that follows the structure title in the log. Is this sufficient, or would you still want them listed directly as the structure is opened, as per this ticket?

in reply to:  3 ; comment:3 by goddard@…, 7 years ago

The “more info…” link is awesome.  Of the data it shows I think the non-standard residues and the links to select them are of wide interest, and are as important as the chains which we list in a table when the model is open.  I think it would be an improvement to have the non-standard residues table appear when the model is opened.  Maybe better to combine the chains and non-standard residues in one table if possible.  I think we should axe some other items from the log such as OpenGL info and PDBx optimizations used so the maximum utility info like the chains and non-standard residues are not cluttered with lots of rarely needed info.


comment:4 by Elaine Meng, 7 years ago

I like what you've done, but I'm also in favor of Tom's suggestions in the previous comment. Of course, it would take more work and coordination with Greg to get to that point.

comment:5 by pett, 7 years ago

Resolution: fixed
Status: feedbackclosed

Now listed directly in log, though as a separate table.

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