https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.0/Version%2014.0.12/
___JmolVersion="14.0.12"
JmolVersion="14.0.12_2014.03.30"
changes since 14.0.11:
new feature: JSpecView getSolutionColor fill/all/none/false
-- any combination of these four flags
-- fill: fill area under a VIS spectrum with color
-- none: remove fill
-- all: do this for all spectra, not just the selected spectrum
-- false: use interpolation method rather than curve fitting
(see jspecview.common.Visible.java for details)
new feature: JSpecView PEAK command -- adds PEAK GC/MS "#1"
-- #1 here indicates "MS for first GC peak"
summary: We now have general ZIP and image file (including PDF) creation in
JavaScript independent of Jmol itself.
new feature: x= format("JSON", data)
-- simple way to generate JSON code.
new feature: x = format("base64", data)
-- creates base64-encoding of the data
-- prepends the string with ";base64,"
new feature; binary byte array
-- from array(s) where s starts with ";base64,"
-- from binary associative arrays
new feature: binary associative arrays
-- Any array containing "$_BINARY_$" as a key.
-- Values may contain raw byte array data, but need not.
-- Can be expanded or changed, just like any associative array.
-- Seen in string form when in a string context.
-- .type of elements will report "byteArray"
new feature: x = write("PNGJ")
-- Creates a binary associative array equivalent to writing a PNGJ file
-- Contains keys "_IMAGE_", "JmolManifest.txt", "state.spt"
and all associated files.
new feature: write VAR x "filename"
or write @x "filename"
-- Where x is a binary array or a binary associative array.
-- When x is a binary array, writes binary data to a file.
-- When x is an array, creates a ZIP file
(or PNGJ file, if _IMAGE_ is present and is PNG format),
automatically converting strings starting with ";base64," to
byte arrays in the ZIP file. To do the same with x a binary
array, just use @{array(x)} instead of @x.
new feature: x = load("myfile",true)
-- Creates a binary associative array variable x that contains the
contents of
the file file.
-- data are stored as raw bytes.
-- If the file is a standard file, the key "_DATA_" will hold the file
data.
-- If the file is a PNGJ file, the key "_IMAGE_" will hold the image data,
and additional files are keyed by file name.
-- If the file is a zip file, the files are keyed by file name.
-- Note that x = load("myfile") without "true" loads the contents of
the file into x and, if the file is a PNGJ or ZIP file, just loads
the list of files in the collection, not the actual data.
new feature: filter "ATOM" opposite of filter "HETATM"
new feature: load ASYNC ....
new feature: script ASYNC ....
-- load and script ASYNC start a new asynchronous thread to load the file
and then continue after that.
-- JSmol/HTML5 only; others ignore
new feature: Mol3D reader
new feature: show CHEMICAL STDINCHIKEY
new feature: show CHEMICAL STDINCHI
new feature: load ":inchikey:xxxxx"
-- requires STANDARD InChIKey (as from {*}.find("chemical",
"stdinchikey")
new feature: x = {*}.find("chemical",type)
-- type is "smiles", "inchi", "stdinchi", "inchikey", "stdinchikey"
-- uses NCI/CADD CIR
-- Note that unlike SHOW CHEMICAL, "InChIKey=" and "InChI=" are dropped
-- Note that unlike SHOW CHEMICAL, trailing new line char is removed
new feature: x = smilesString.find("chemical",type)
-- type is "smiles", "inchi", "stdinchi", "inchikey", "stdinchikey"
-- allows going directly from SMILES to other quantities
-- uses NCI/CADD CIR
-- Note that unlike SHOW CHEMICAL, "InChIKey=" and "InChI=" are dropped
-- Note that unlike SHOW CHEMICAL, trailing new line char is removed
bug fix: NWChem reader broken
bug fix: JSpecView GC/MS issues
bug fix: JSmol callbacks should refer to "jmolApplet0" not
"jmolApplet0_object"
bug fix: set cameraDepth not working
-- note that loading of PyMOL files affects this setting, which
is reset only using the INITIALIZE command
bug fix: getProperty() function does not recognize a list as a variable and
returns it as a string
bug fix: Dsn6Reader.java misnamed, causing EDS map file load error
in JavaScript only. (I did not know that was even possible!)
bug fix: java.io.dataStreamReader.readShort() does not take into
account JavaScript equivalence of short and int, causing
"-1" to be read as 65535.
bug fix: minimum modulationScale set to 1; should be 0.1.
bug fix: translucent echo backgrounds broken
bug fix: filter "HETATM" does not work
bug fix: write XYZ broken by changes to the way arrays
are shown with the PRINT command
bug fix: x = adfjladj(3) crashes Jmol
bug fix: x[0] = "tst" "here" "now" should cause script exception
bug fix: isosurface MOLECULAR delivers wrong surface
bug fix: spacefill ionic not working
bug fix: set cameraDepth disabled
bug fix: some translations not being carried out.
bug fix: msCIF reader not accepting normalized commensurate Fourier vectors
bug fix: JSmol/HTML MSIE local installation AJAX working again (still no
binary files)
--
Robert M. Hanson
Larson-Anderson 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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