search

ReliaSolve / cctbx_project

Computational Crystallography Toolbox
https://cctbx.github.io
Other
0 stars 0 forks source link

Be able to turn on and off alternates in probe2 Kinemage #283

Closed russell-taylor closed 6 months ago

russell-taylor commented 8 months ago

(Jane) I have another desideratum for dealing with the field's trend toward alternates and ensembles - we need to be able either to animate between the different all-atom dots on different alternate or at least turn them on and off separately. This may or may not be easy (perhaps as Vincent did NMR models?), but it is absolutely indispensable for understanding what is happening, as I realized when analyzing James Holton's "best.pdb". We should discuss at lab meeting, and also consult with Russ about possible changes in Probe.

russell-taylor commented 8 months ago

It should not do this when there is only a single alternate.

russell-taylor commented 7 months ago

Jane decided that controls for all alternates should be turned on by default and they should be checkboxes that can be turned on and off rather than animated. Ready to implement.

russell-taylor commented 7 months ago

Version 4.0.0 of probe2 makes pointmasters for any dots associated with an atom that is in an alternate. It also removes the alt-a restriction on the default source selection so that all alternates show up.

russell-taylor commented 7 months ago

(done) Jane reports that the buttons don't control the dots in the viewer that she is using. False alarm, a different file was being checked.

russell-taylor commented 7 months ago

@todo: Jane asked for this to also be implemented in FlipKins. It is okay for the alta and altb to become a and b in the master, which will make them compatible with pointmasters.

russell-taylor commented 6 months ago

Test using the following file, running it through Reduce2 and producing Flipkins. otw1.zip

russell-taylor commented 6 months ago

Pushed to master in commit c825fa9fda18d3b2b6b947411929197bba74ef21