lp:jmol

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16055. By hansonr on 2018-02-13

genNBO tweaks

16054. By hansonr on 2018-02-11

Jmol.___JmolVersion="14.29.6"

bug fix: Matrix4f, Matrix3f should be output in format consistent with an matrix, not an array
 -- should not have space between opening and closing brackets
 -- should not use commas (not a critical distinction)

 [[0.8362213 -0.5062382 0.21084802 52.988747]
  [0.5394281 0.8285579 -0.15003058 20.076633]
  [-0.09874859 0.23919612 0.96593684 46.393887]
  [0.0 0.0 0.0 1.0]]

bug fix: genNBO reader failing for G orbitals (even though we cannot process them, the reader at least load them

new feature: set infoFontSize
  -- for MO and NBO command
  -- default 20

bug fix: red file load error message is too small to read
  -- font size increased to 20

16053. By hansonr on 2018-02-10

Jmol.___JmolVersion="14.29.6"

bug fix: genNBO reader failing for G orbitals
code: modular loading of F,G,H,I MO calculations only when needed

16052. By hansonr on 2018-02-08

Jmol.___JmolVersion="14.29.5" // released 2018.02.08

bug fix: (Java application only) Incorrect class file in Jmol.jar causes BOUNDBOX ON to fail

16051. By hansonr on 2018-02-08

Jmol.___JmolVersion="14.29.4" // released 2018.02.08

bug fix: (Java application only) Incorrect class file in Jmol.jar causes BOUNDBOX ON to fail

16050. By hansonr on 2018-02-08

Jmol.___JmolVersion="14.29.4"

bug fix: set hbondsrasmol false fails with O atom-only HOH group

16049. By hansonr on 2018-02-07

Jmol.___JmolVersion="14.29.4" // released 2018.02.06

bug fix: calculate pointgroup does not change with new atom positions

16048. By hansonr on 2018-02-03

16047. By hansonr on 2018-02-03

Jmol.___JmolVersion="14.29.3"

bug fix: mac cut/paste enabled for Macs
bug fix: set autobond corrected
bug fix: changing an atom's element should delete all partial charges
bug fix: load AUDIO "xxx.wav" broken in Java
bug fix: load AUDIO "xxx.wav" broken in JavaScript
bug fix: loading of pdb file does not report HET = .... to console
bug fix: CONTACT leading to no contacts crashes Jmol.
bug fix: load FILES with filter does not work
bug fix: load =xxxx/val with filter does not save in state
   solution was to change "+" to "-" to indicate special two-file loading in this case

new feature: set label picking icon in application
new feature: set label picking does not require shift for drag
new feature: set label picking allows double-click to set the label

new feature: drag-drop of PNGJ into script opens editor (for movie.spt; use not implemented)

new feature: set allowAudio (default TRUE)

new feature: AUDIOcallback
 - used to continue after completion of an audio clip
 - parameter is a hashtable with information about the audio clip

new feature: load AUDIO "xxx.wav" FILTER "...options..."
 - filter options include:
 - id='....' an identifier for this audio clip
 - loop loop until told to stop
 - start='...', play='...', stop='...', ended='...' callback scripts allowed
 - single word arguments allowed - for example, id=a2 ended=audioDone()

note: These features will be included in a future AUDIO command

16046. By hansonr on 2018-02-02

Jmol.___JmolVersion="14.29.3"

bug fix: mac cut/paste enabled for Macs
bug fix: set autobond corrected

JmolVersion="14.29.2" // released 2018.01.29 -- REMOVED 2018.02.02

broken: set autobond