docking-org / cartblanche22

A molecule shopping cart and ZINC-22 search tool
https://cartblanche22.docking.org
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more changes to 2D and 3D browsers #65

Open jir322 opened 2 years ago

jir322 commented 2 years ago

I would like to make logP more readable as follows. In the title, put logP (up to) as we do for ZINC15.

instead of M500, put < -5.0 instead of M400 put -4.0 for M300 put -3.0 for M200 put -2.0 for M100 put -1.0 for M000 put < 0 for P000 put > 0 for P010 put 0.1 for P020 put 0.2 and so on for P100 put 1.0 for P110 put 1.1 for P200 put 2.0 for P210 put 2.1 for P300 put 3.0 for P310 put 3.1 for P400 put 4.0 for P410 put 4.1 for P500 put 5.0 for P600 put 6.0 for P700 put 7.0 for P800 put 8.0 for P900 put 9.0

The tooltip should now be the old value and the single alphanumeric. Thus for M500 ( now < -5.0) the tooltip should be "M500 (0)" for P030 (now 0.3) the tooltip should be "P030 (9)" and so on

I know this is a lot of work, but it will make the tranche browser much easier for people to understand.

I would love to have the tool tip for each square as follows, if you can compute it. Thus if I hover over H14P250 for more than a second or two (say) then a tool tip comes up and it says "H14P250 (ev)" that would be really cool, but I realize might not be easy! Thank you