id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
4499	RFE: coulombic coloring of surface caps to automatically update	Elaine Meng	Eric Pettersen	"This might require having a map ""under the hood,"" however, even if there is no volume model explicitly created.  

Tom G: The mlp command computes the volume even when you don't use option ""map true"".  The volume is not shown as an opened model but should be used to update the coloring of a cap automatically as the clip cap is moved.
Coulombic does not need to compute a map in order for automatic coloring updates to happen when a surface changes. You use Drawing.auto_recolor_vertices to get a callback when the surface changes and have an instance that know all the settings redo the coloring.

Eric: It would be sluggish without a map, wouldn't it?

Tom G: It might be in some cases.  I'd guess the cap surface might have 10,000 vertices and maybe you have 10,000 atoms so 100 million terms to calculate -- might take 1 second in C++.  If most of the atoms have 0 charge and those are not summed, so you only have 1000 atoms then ten times faster.  Would require timing to know how fast it is.  Of course map interpolation will be plenty fast, but the initial map calculation could be quite slow depending on how fine the grid spacing is.
"	enhancement	accepted	moderate		Depiction				Tom Goddard				all	ChimeraX