Jmol Developers,
I have uploaded Jmol 11.5.16 -- Nico, please release 11.5.16 and 11.4.0
The big new thing is the ability to delete individual models. You do
this by selecting ATOMS, and then Jmol deletes all models involving the
selected atoms. For example:
load files "caffeine.xyz" "1crn.pdb"
load append "1blu.pdb"
zap 1.1 # remove caffeine
zap 2.1 # remove 1crn.pdb
Individual models or sets of models from within a set of models in a
file may be zapped:
load cyclohexane_movie.xyz
zap model < 10, model > 15
This was VERY complicated, but in the end it boiled down to just two new
general methods (ArrayUtil.deleteElements and BitSetUtil.deleteBits) and
then thorough application of those two methods.
I'm not sure I found all the necessary points to apply these methods. I
would really appreciate some major testing on this. Who can help? We
need to produce model sets involving multiple models with every possible
feature (polyhedra, cartoons, dots, draw, etc.) and then delete a model
somewhere in the middle of the set, save the state, restore the state,
save the state again, and restore the state again to see if we get
exactly the same state as we started with.
Dots, for example, I haven't tested at all. I just don't have time this
morning to work on this anymore, but I'm confident enough that it is
basically OK to release it now and let others play with it. Please do!
Bob
# new feature: zap {atom expression} # zaps models associated with given
atoms.
# use "show models" to see what models are present, then zap them with
their
# file.model number:
#
# zap 1.1,2.1 # these two models deleted
# zap atomIndex=0 # ALL ATOMS IN FIRST MODEL deleted
#
# Note that file.model numbers do not change after this.
# So if initially there were two files loaded
#
# zap 1.1
#
# removes the first model and leaves the second as "2.1"
#
# NEEDS THOROUGH TESTING, particularly in regard to saving/restoring the
state
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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