Hi all, not too long after the .44 release the changes are piling up again; see below. Downloads from:
http://sourceforge.net/project/showfiles.php?group_id=23629&package_id=142353&release_id=693156 # bug fix: load trajectory XXX.cif not applying fractional coordinates. # bug fix: load trajectory {0 -1 1} not loading any models if first model has 0 atoms # (as in certain cif files) # bug fix: dipole offsetside not working for molecular dipole (EVER!) # # code: refactored scriptEvaluator and Jmol.java. Now it is much simpler # to create a truly "headless" Jmol application, where Jmol is being # used for the investigation of the structure instead of visualization. # # new application: JmolFrameless.jar # This application completely disallows any display -- it is totally formless # There are no Java Swing JFrames involved, no dialogs, no popup menus, # no display of any kind. # # script editor behaving properly except for a nasty SWING bug that will # require recasting this in AWT instead of SWING. # See http://bugs.sun.com/bugdatabase/view_bug.do?bug_id=4353673 # # new feature: gamessUS reader now reads dipoles and partial charges. # # TODO script editor -- search? argh... I knew this would be a can of worms... # script editor -- undo/redo works (CTRL-Z, then SHIFT-CTRL-Z or CTRL-Y) # # new feature: drag/drop and file menu-open scripts directly into editor, from where they can be checked or tested. # code: refactored readers, allowing for more obvious initialization/finalization methods # new feature: App and applet consoles now have "editor" buttons # that load scripts into a "script editor" and allow stepping through # scripts (and changing values during the pauses) - preliminary only # # opens a rough draft ScriptEditor # new feature: Gamess file reader now translates internal basis set and calculation # methods representations into roughly literature standard for Pople & Dunning basis # sets as well as perturbation, CI and CC calculation methods. This is dumped to # calculationType. # new feature: application console buttons: PAUSE, ?, STEP # new feature: SHOW TRACE -- reports stack trace # bug fix: functions with names starting with _ were local instead of global # bug fix: 2 pixels off in y for labels. Don't know why I thought that was necessary in Text.java::setBoxXY. # new feature: SHOW VARIABLES now gives variable trace through function stack # new feature: [Oh, VERY COOL!] You can now pause the app anywhere in a # script, do anything you want -- even within functions -- change variables, # set parameters, anything -- and then resume with RESUME. Some of us # have dreamt of having this with JavaScript. Very very useful! # so, for example: # # function testing(i,j) { # n = 3 # show variables # pause change any variable and then enter RESUME # show variables # } # testing(3,5) # # bug fix: problems with PAUSE/RESUME within App # bug fix: "set ?" nonfunctional # bug fix: unmatched { in quotes in @{ } not properly treated: echo @{" testing}"} # new feature: strings may start with ' or ", like JavaScript: # x = 'testing' # print 'there are ' + all.length + ' atoms' # cd, echo, gotocmd, help, hover, javascript, label, message, and pause # all are implicitly strings. You CAN use "..." but you don't have to, # and you cannot use '...'. This way the introduction of single quotes # as an equivalent of double quotes cannot break existing scripts. -- BH 06/2009 # new feature: print getProperty("PDBInfo","REMARK300") Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
