[Jmol-developers] Jmol 11.1.22 surprise feature: load APPEND

[Bob H. <ha...@st...>]

In the category of "something we wish we always had" I woke up this 
morning with the realization that with a "bit of work" we should be able 
to give multiple load commands without losing the currently loaded file, 
and thus add or append structures to a model or set of models.
 
Yes, well, 10 hours later I do believe Jmol 11.1.22 introduces that.

load APPEND "filename".....

and

data "APPEND"....end "APPEND";

add new model data, creating a new model (or not) in the process, 
depending on the setting of

set appendNew

By default, data are loaded into a new model. But when appendNew is set 
FALSE, then the data is introduced into the currently displayed model.

For example:

set appendNew false
load caffeine.xyz

 >FileManager opening caffeine.xyz
 >The Resolver thinks Xyz
 >openFile(caffeine.xyz,0,0,0,0)0 ms
 >frame: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
 >1 model in this collection....

load append cholesterol.mol

 >FileManager opening cholesterol.mol
 >The Resolver thinks Mol
 >openFile(cholesterol.mol,0,0,0,0)219 ms
 >frame: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
 >1 model in this collection.

select molecule=1

 >24 atoms selected

select molecule=2
 >74 atoms selected

set appendNew true
load append 1crn.pdb

select 1.1
 >98 atoms selected

select 2.1
 >327 atoms selected

select helix
 >162 atoms selected


OR

load caffeine.xyz
isosurface plane {1 1 1 0} translucent 3

set appendnew false
data "append"
2
test
C 0 0 0
O 1 1 1
 end "append";


I now have caffeine.xyz plus CO together, in one model.

Still probably needs some testing, but it even looks like the state 
business is working.



Bob