Hi Bob,

Am 26.02.2014 um 21:13 schrieb Robert Hanson:



load =3pxo;
contact {RET} {not RET} full vdw 120% color white;
show @{ getProperty("shapeInfo") }
> Contact key empty


true -- the shapeInfo for Contact right now only relates to point-to-point contacts as with the HBOND or CLASH, not the FULL option.
 

I see, then it contains a very detailed pairInfo array. My fault, I was expecting general infos as in the shapeInfo Isosurface key, especially ID, visible, color, translucency, title (which contains the original command). These are very handy for isosurfaces to see, i.e. when loading a .pngj file, all available isosurface, visible or not. The shapeInfo Draw key has also some nice info: command, which is better then title as for Isosurface.

I don't know how many people use shapeInfo and for what, but I would like to have ID, visible, command and if applicable color, translucency for Isosurface, Draw, Contact - are there more? Orbitals? I don't work with those. With these one can easily create a small gui listing all isosurface, contact, draw objects that are in the state and show/hide them.

Would it be a good idea to make the Contact pairInfo accessible via getProperty contactData as with isosurfaceData because it can get prohibitively big?



Alex