2022-11-15 |
Toshi Nagata | Support load/save of NBO info master |
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2022-10-10 |
Toshi Nagata | call_subprocess now accepts an array of arguments,... |
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2021-11-14 |
Toshi Nagata | Batch mode is implemented (still testing) |
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2021-11-08 |
Toshi Nagata | Win10: screen update is improved |
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2019-08-17 |
toshinagata1964 | About dialog is improved. |
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2016-09-08 |
toshinagata1964 | export_graphic now allows specification of the width... |
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2016-04-27 |
toshinagata1964 | A CIF file with multiple structures now can be processe... |
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2014-09-30 |
toshinagata1964 | Molecule#on_modified is not called when undo is disabled |
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2014-09-26 |
toshinagata1964 | Ruby#listen is now obsolete, and the message mechanism... |
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2014-09-24 |
toshinagata1964 | Ruby dialog class is being restructured. The source... |
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2014-07-11 |
toshinagata1964 | export_graphic is implemented as a Ruby command |
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2014-07-02 |
toshinagata1964 | On exporting graphics, resolution and background color... |
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2014-06-18 |
toshinagata1964 | Handling of Ruby subwindows (non-modal dialogs) is... |
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2014-03-24 |
toshinagata1964 | The subprocess handling is (hopefully) improved. |
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2014-03-20 |
toshinagata1964 | Space group table look all right. Export Graphics is... |
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2014-03-16 |
toshinagata1964 | 'Show' menu is renamed to 'View'. 'Show...' menus are... |
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2014-03-15 |
toshinagata1964 | The source codes are cleaned up |
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2014-03-15 |
toshinagata1964 | Menu items are rearranged |
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2014-03-15 |
toshinagata1964 | Script menu handling is improved |
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2014-02-16 |
toshinagata1964 | 'proc' is replaced with 'lambda' for creating a Proc... |
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2013-11-09 |
toshinagata1964 | 'Create MOPAC input' is implemented |
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2013-10-11 |
toshinagata1964 | Guess UFF parameters dialog is improved. |
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2013-08-27 |
toshinagata1964 | 'Guess UFF Parameters' dialog is introduced. Not workin... |
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2013-08-02 |
toshinagata1964 | On calling antechamber, atom names are modified so... |
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2013-08-01 |
toshinagata1964 | Resize of the Ruby Dialog is improved (still experiment... |
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2013-07-25 |
toshinagata1964 | The 'Create Pi Anchor' menu command now excludes hydrog... |
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2013-07-24 |
toshinagata1964 | After creation of a pi anchor, only the newly created... |
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2013-06-29 |
toshinagata1964 | A progress indicator (and stop button) for subprocesses... |
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2013-06-17 |
toshinagata1964 | When antechamber is successfully run, existing improper... |
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2013-06-13 |
toshinagata1964 | Kernel#call_subprocess can now accept a callback procedure. |
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2012-10-31 |
toshinagata1964 | Create Pi Anchor menu command is implemented. |
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2012-10-30 |
toshinagata1964 | Attribute table was not updated correctly after revert... |
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2012-10-28 |
toshinagata1964 | The load/save codes are rewritten, so that the error... |
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2012-10-12 |
toshinagata1964 | Ruby: Dialog#filter_kit is implemented. This looks... |
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2012-10-11 |
toshinagata1964 | Filter mode (development continued) |
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2012-10-11 |
toshinagata1964 | 'Filter' mode is implemented (experimentally) |
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2012-09-01 |
toshinagata1964 | Handling of view-related attributes of Molecule is... |
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2012-06-20 |
toshinagata1964 | Building verlet list seems to be working. Handling... |
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2012-05-07 |
toshinagata1964 | Atom range specification for the vdw cutoff parameter... |
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2012-01-31 |
toshinagata1964 | Ruby: Molecule#make_front, set_name, get_view_rotation... |
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2011-11-26 |
toshinagata1964 | Some typical cyclic structures as well as solvent boxes... |
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2011-10-19 |
toshinagata1964 | Import/export of dcd format is implemented. |
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2011-09-30 |
toshinagata1964 | On windows, Molecule#path, Molecule#dir does not work... |
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2011-07-29 |
toshinagata1964 | Import AMBER Frcmod menu command is implemented. |
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2011-07-28 |
toshinagata1964 | The property table section of the tutorial is being... |
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2011-07-26 |
toshinagata1964 | Create New Parameter menu command is implemented. Molec... |
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2011-07-21 |
toshinagata1964 | Create New Atom menu command is being implemented ... |
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2011-07-21 |
toshinagata1964 | Importing frcmod is improved. Import AMBER Lib (in... |
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2011-07-06 |
toshinagata1964 | Ruby: stdin.{gets, readline} are implemented (other... |
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2011-07-06 |
toshinagata1964 | Importing Amber mdcrd files is implemented. |
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2011-07-05 |
toshinagata1964 | Molecule#{bond,angle,dihedral,improper,vdw}_par were... |
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2011-07-02 |
toshinagata1964 | Gaff and parm99 parameters: the equilibrium bond length... |
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2010-05-16 |
toshinagata1964 | The native format (mbsf) now preserves the display... |
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2010-05-08 |
toshinagata1964 | Handling of MD dialog is improved. MM/MD calculation... |
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2010-05-06 |
toshinagata1964 | Undo is kept enabled during 'molload' and related calls... |
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2010-04-24 |
toshinagata1964 | Work around the wxWidgets bug where wxDocument::Close... |
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2010-03-31 |
toshinagata1964 | Frames can now have variable unit cell parameters. |
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2010-02-03 |
toshinagata1964 | The multithread handling for MM/MD is improved. |
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2010-01-31 |
toshinagata1964 | AmberTools-1.3 (part) is bundled. |
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2010-01-21 |
toshinagata1964 | initial import |
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