I have released 14.0.17 and 14.1.17
They are identical.
Please test.
see
https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.0/Version%2014.0.17/
I will probably release Jmol 14.2.0 without much change from these in about
two weeks. Much has been added since 14.1.1 was released in December of
2013. Some notable features in 14.2 (some of which are still not
documented):
new feature: "like" operator, strings only
new feature: (actually 13.1 but undocumented) animation frame [ 51 50 49 48
47 46 45 (etc) 27 1 2 3 4 5 6 7 (etc)....]
new feature: (application only) -a --autoAnimationDelay
new feature: {atomset}.modulation(type, t)
new feature: {xxx}.distance.all({yyy}) returns float[][] of values
new feature: {xxx}.getProperty("yyy")
new feature: added simpler associative array notation: [key:value,...]
new feature: altloc set for msCIF _atom_site_subsystem_code
new feature: anim frame [a,b,c,d] works with negative numbers to indicate
ranges:
new feature: array.join()
new feature: array.keys.all
new feature: array.pop(), array.push()
new feature: associative array alternative ".." syntax
new feature: associative array standard "dot" notation
new feature: asynchronous resumable processes
new feature: atomSet1.distance.max(atomSet2, TRUE)
new feature: atomSet1.distance.max(point, TRUE)
new feature: atomSet1.distance.min(atomSet2, TRUE)
new feature: atomSet1.distance.min(point, TRUE)
new feature: Bilbao Crystallographic Server file reader
new feature: BilbaoReader NONORM option -- reads displacements as actual
values, not normalized
new feature: binary associative arrays
new feature: byteArray type
new feature: calculate hbonds structure
new feature: calculate structure dssr
new feature: caption "xxxxx" x.x -- number of seconds to run
new feature: catchable THROW
new feature: color(color1, color2, n, asHSL)
new feature: compare {model1} {model2} SMILES
new feature: construction/manipulation/saving of ZIP files
new feature: delete $SAVED savedName
new feature: dipole ID m1 ALL {...}
new feature: DSSR output reading
new feature: escape pressed cancels pending measurement
new feature: expanded unit cell ijk notation
new feature: filter "ATOM" opposite of filter "HETATM"
new feature: filter "MODCELL=x"
new feature: Gaussian fchk file reader
new feature: getProperty variableInfo <expression>
new feature: getProperty("JSON", ....)
new feature: getProperty(x, SQL_query)
new feature: JANA2006 reader adds M40 molecular group support
new feature: JavaScript: JSmol api Jmol.evaluateVar(applet, expression)
new feature: JSmol Info.z, Info.zIndexBase
new feature: JSmol: allow for a user callback for customization of menu
new feature: JSpecView and Jmol read ACD/Labs assigned spectra block JDX
files.
new feature: JSpecView getSolutionColor fill/all/none/false
new feature: JSpecView PEAK command -- adds PEAK GC/MS "#1"
new feature: JSpecView readers for ACD/Labs annotated MS, IR, Raman, and
UV/VIS
new feature: LIKE operator extended to atom expressions
new feature: load ":inchikey:xxxxx"
new feature: load "cell=parent" or "cell=standard"
new feature: load "filename" packed x.x
new feature: load ... filter "symop=..."
new feature: load =1msy/dssr
new feature: load ASYNC ....
new feature: load files "xxx" + "yyy"
new feature: load ORIENTATION or load DATA "...orientation..." ...
new feature: load xxxx filter "CELL=va,vb,vc;oa,ob,oc"
new feature: mCIF (magnetic CIF) file reader
new feature: menu item color--atoms--by scheme--vectors
new feature: modulation 0.2 // sets t-value
new feature: modulation adjustable by q and t, up to d=3
new feature: modulation scale x.x
new feature: Mol3D reader
new feature: moveTo AXIS [a,b,c,x,y,z]
new feature: MSCIF reader now allowing up to d=10; was d=6
new feature: pickedList -- ordered array of recently picked atoms
new feature: pt1.mul3(pt2)
new feature: replace()
new feature: replace(x, y, TRUE)
new feature: reset PRINT
new feature: restore UNITCELL
new feature: RESUME with arguments is synonymous with RESTORE
new feature: rich SQL logic in GETPROPERTY, getProperty(), and
within(dssr,"xxxx.yyy..."):
new feature: save CONTEXT contextName
new feature: script ASYNC ....
new feature: select leadAtom(s)
new feature: select ON ; select OFF
new feature: select ON/OFF atom-set
new feature: select within(dssr,"subset")
new feature: select x = [array or array variable]
new feature: select xyz > 1.0
new feature: set backboneSteps TRUE
new feature: set bondingVersion
new feature: set cartoonRibose
new feature: set echo depth x.x for standard echos
new feature: set showUnitCellDetails TRUE (default)
new feature: set showUnitCellInfo TRUE (default)
new feature: set starWidth
new feature: set vectorsCentered
new feature: show CHEMICAL STDINCHI
new feature: show CHEMICAL STDINCHIKEY
new feature: show SAVED
new feature: show symop @1 @2 "fmatrix"
new feature: show symop n "fmatrix"
new feature: show(xxx) function
new feature: THROW command
new feature: Tinker file reader (and FoldingXYZ reader upgrade)
new feature: unit cell display includes k (mCIF) and q (CIF, Jana2006)
vectors
new feature: unitcell "abc_offset"
new feature: unitcell "type"
new feature: unitcell [ {origin} {a} {b} {c} ]
new feature: unitcell {555 575 0}
new feature: unitcell {atomset}
new feature: unitcell BOUNDBOX
new feature: unitcell OFFSET and RANGE
new feature: unitcell RESET (or RESTORE)
new feature: V3000 reading of DATA SGROUP records:
new feature: WRITE "filename" AS type
new feature: write VAR x "filename"
new feature: x = {*}.find("chemical",type)
new feature: x = {*}.find("SMILES", "H")
new feature: x = compare({atomset1}, {atomset2}, "MAP")
new feature: x = compare({atomset1}, {atomset2}, "MAP", "all")
new feature: x = compare({atomset1}, {atomset2}, "MAP", "allH")
new feature: x = compare({atomset1}, {atomset2}, "MAP", "best")
new feature: x = compare({atomset1}, {atomset2}, "MAP", "bestH")
new feature: x = compare({atomset1}, {atomset2}, "MAP", "H")
new feature: x = format("array", data)
new feature: x = format("base64", data)
new feature: x = format("byteArray", data)
new feature: x = format("JSON", data)
new feature: x = load("myfile",true)
new feature: x = smilesString.find("chemical",type)
new feature: x = write("PNGJ")
new feature: x.pop("key") for an associative array
new feature: x.push(key,value) for associative array
new feature: x.bondingRadius added as more appropriate alias for x.ionic
new feature: x.covalentRadius added as more appropriate alias for x.covalent
new feature: var x,y,z;
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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