Nico will soon release 11.3.48. One very new feature I would like
feedback on:
Would it be valuable to be able to put a bunch of models and scripts in
a ZIP (or JAR) file and then access them directly from that? Sort of
like packaging several models in one XYZ file, but you get to mix and
match files, scripts, text, etc. You can do that now using:
load test.zip|model1.mol
script test.zip|myscript.spt
The | there tells Jmol that the indicated files are in test.zip.
load test.zip
by itself loads ALL models in test.zip. They will be read in the order
delivered by the ZIP file unless you add a text file called JmolManifest
to that ZIP file. There you list the specifc files you want read, in the
order you want them read:
#JmolManifest
file1.mol
file2.pdb
file3.xyz
file4.pdb
etc.
OR, you can add the manifest on the command line and override any
JmolManifest that might be in there:
load test.zip MANIFEST "file1.mol|file2.pdb|file3.xyz|file4.pdb"
In addition, we might want to explore the contents of a zip file, so now
you can use
print getProperty("fileContents", "myfile.jar")
to see the table of contents of myfile.jar. And you can get
subdirectories and contents of specific files:
print getProperty("fileContents", "myfile.jar", "org/jmol/")
print getProperty("fileContents", "myfile.jar", "file1.mol")
or just
print getProperty("fileContents", "myfile.jar|org/jmol/")
print getProperty("fileContents", "myfile.jar|file1.mol")
Note that this means that model files that are natively ZIP format
(MacSpartan06) can be explored directly:
print getProperty("fileContents",
"benzenevib.spardir.zip|benzenevib.spardir/M0001/proparc")
Does this sound reasonable?
Bob
--
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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