surface shown for hidden model when coulombic used in trajectory playback

[Elaine Meng]

Maybe it's two problems. Test case

setup:

open 2gbp
open 2fw0
mm #2 to #1
morph #1,​2

Goal is to show coulombic surface during trajectory playback. First, this works with "mlp" in analogy to this previous chimera-users post
​https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/message/SZLHTVU6MEEWRIJA44IM5AZGRIDQMD2O/

perframe "coordset #3 $1 ; surf close ; surf #3 update false ; mlp surf #3" range 1,51

However, this does not work if you simply change "mlp" to "coulombic" because "adding H-bond-preserving hydrogens to trajectories not supported"

Maybe that's problem 1. If I capitulate and try this first

addh #3 hb false

...it still doesn't work, in that the hidden model is not rdeleted/remade per frame and instead I get a persistent molecular surface from the first set of coordinates and apparently the coulombic map is also calculated from only the first set of coordinates and the colors on the superimposed per-frame mol surf become wrong/crazy. E.g. next command

perframe "coordset #3 $1 ; surf close ; surf #3 update false ; coulombic surf #3" range 1,51

I guess that's problem 2, possibly the main problem. Then if I go back and re-execute the perframe with mlp that worked, it also has the spurious molecular surface superimposed.

Tested in 2024-07-03 daily build

[pett]

Making coulombic not ask for H-bond-guided hydrogens fixed both problems.

Fix: ​https://github.com/RBVI/ChimeraX/commit/0a1fb1649ee570358f87566319b3109ecafc3d46

[pett]

Still gets H-bond-guided hydrogens for non-trajectories.