lp://staging/jmol

Branch merges

This import branch has no branches proposed for merge into it.

No branches dependent on this one.

Related source package recipes

No recipes using this branch. (?)

Create packaging recipe

Related snap packages

Related bugs

Related blueprints

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