| 2012-09-01 |
toshinagata1964 | Handling of view-related attributes of Molecule is... |
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| 2012-09-01 |
toshinagata1964 | Ruby documents for pi-anchors are written. |
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| 2012-08-30 |
toshinagata1964 | Pi-metal bonds are being implemented (molecular mechani... |
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| 2012-08-12 |
toshinagata1964 | Ruby: create_graphic was not working correctly when... |
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| 2012-08-03 |
toshinagata1964 | Some cleanup of the internal structure; unused fields... |
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| 2012-08-02 |
toshinagata1964 | Property table can now list the unit cell parameters. |
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| 2012-07-25 |
toshinagata1964 | Handling of selection from Ruby script was partially... |
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| 2012-07-24 |
toshinagata1964 | Handling of Molecule object was not consistent. Hopeful... |
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| 2012-07-24 |
toshinagata1964 | Export ORTEP (improved) and best-fit plane calculations... |
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| 2012-07-06 |
toshinagata1964 | Cell minimization is improved (hopefully...) |
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| 2012-07-05 |
toshinagata1964 | Handling of flexible cells were still inconsistent. |
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| 2012-07-04 |
toshinagata1964 | Molecule#cell_flexibility and set_cell_flexibility... |
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| 2012-07-04 |
toshinagata1964 | Ruby: Molecule#box= was not working as expected. Fixed. |
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| 2012-07-04 |
toshinagata1964 | Memory leak bugs are examined and removed. |
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| 2012-06-30 |
toshinagata1964 | When no molecule is open, Ruby scripts are evaluated... |
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| 2012-06-29 |
toshinagata1964 | The anisotropic parameters for the symmetry expanded... |
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| 2012-06-28 |
toshinagata1964 | The load commands can now include error messages in... |
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| 2012-06-27 |
toshinagata1964 | Molecule#expand_by_symmetry now returns an array of... |
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| 2012-06-27 |
toshinagata1964 | Molecule#symop_for_transform and transform_for_symop... |
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| 2012-06-26 |
toshinagata1964 | Molecule#is_atom_hidden and AtomRef#hidden, hidden... |
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| 2012-06-26 |
toshinagata1964 | Molecule#set/get_view_rotation: the sign of the angle... |
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| 2012-06-25 |
toshinagata1964 | The restriction on the number of bonds (12) is removed... |
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| 2012-06-21 |
toshinagata1964 | Handling of frame-specific cell parameters was very... |
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| 2012-06-18 |
toshinagata1964 | Features of Molecule#cell and Molecule#box are modified... |
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| 2012-06-17 |
toshinagata1964 | Ruby: Molecule#fit_coordinates seems to be working... |
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| 2012-06-16 |
toshinagata1964 | Ruby: Molecule#fit_coordinates is being implemented... |
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| 2012-06-06 |
toshinagata1964 | Ruby: AtomRef#symop can now be set from script. |
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| 2012-06-06 |
toshinagata1964 | Ruby: Molecule#amend_by_symmetry is implemented. |
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| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#set(get)_view_translation is now obsolet... |
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| 2012-06-04 |
toshinagata1964 | Undoing change in revision 207 (forgot to commit differ... |
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| 2012-06-04 |
toshinagata1964 | The order of the anisotropic thermal parameters is... |
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| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#hidden_atoms and Molecule#set_hidden_ato... |
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| 2012-05-08 |
toshinagata1964 | Parameters now can be specified by using both explicit... |
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| 2012-05-08 |
toshinagata1964 | Parameter editing is under overhaul. |
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| 2012-05-07 |
toshinagata1964 | Handling of parameters are being improved, but still... |
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| 2012-05-07 |
toshinagata1964 | Handling of parameters is being reworked (still going on) |
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| 2012-05-07 |
toshinagata1964 | Atom range specification for the vdw cutoff parameter... |
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| 2012-05-03 |
toshinagata1964 | Ruby: Kernel.lookup_menu is implemented. |
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| 2012-02-01 |
toshinagata1964 | Document is updated to include new graphic objects... |
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| 2012-01-31 |
toshinagata1964 | Ruby: Molecule#make_front, set_name, get_view_rotation... |
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| 2012-01-30 |
toshinagata1964 | Drawing custom graphics on the model view is being... |
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| 2012-01-16 |
toshinagata1964 | AtomRef#molecule is implemented. |
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| 2011-11-30 |
toshinagata1964 | Rms of crystallographic parameters (from the CIF file... |
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| 2011-11-25 |
toshinagata1964 | Ruby: Molecule object is now unique to each open molecu... |
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| 2011-11-22 |
toshinagata1964 | __FILE__ is now set to the script file during execute_s... |
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| 2011-10-31 |
toshinagata1964 | Ruby: Molecule#find_close_atoms is implemented. |
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| 2011-10-15 |
toshinagata1964 | On Windows, Molby::{Mbsf,Resource,Script}Path return... |
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| 2011-10-13 |
toshinagata1964 | Ruby: find_conflicts now exclude atom pairs separated... |
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| 2011-10-12 |
toshinagata1964 | Some solvent box are included in Scripts/mbsf folder... |
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| 2011-10-05 |
toshinagata1964 | Atoms to be excluded from MM/MD calculations are now... |
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| 2011-09-20 |
toshinagata1964 | Mac: use pthread instead of SIGALRM for interval timer... |
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| 2011-09-14 |
toshinagata1964 | AtomRef.exclusion causes bus error when the MDArena... |
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| 2011-09-13 |
toshinagata1964 | After loading the molecule, occupancy factors are check... |
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| 2011-09-07 |
toshinagata1964 | Remove some startup code when building a command line... |
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| 2011-09-06 |
toshinagata1964 | Ruby command get_coord_from_frame(index, group=nil... |
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| 2011-09-06 |
toshinagata1964 | Exclude atoms with occupancy = 0 from MM/MD calculations |
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| 2011-09-01 |
toshinagata1964 | The MO info table is renamed to MO energy, and the... |
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| 2011-08-19 |
toshinagata1964 | Final compile date/time is shown in the 'About' window |
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| 2011-08-01 |
toshinagata1964 | MO import from GAMESS output is being implemented ... |
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| 2011-07-28 |
toshinagata1964 | CIF import is implemented (maybe still incomplete) |
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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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| 2011-07-07 |
toshinagata1964 | Copy/paste now handle parameters properly (hopefully... |
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| 2011-07-07 |
toshinagata1964 | .gets now appends a newline after the input string... |
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| 2011-07-06 |
toshinagata1964 | Ruby: stdin.{gets, readline} are implemented (other... |
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| 2011-07-05 |
toshinagata1964 | Molecule#{bond,angle,dihedral,improper,vdw}_par were... |
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| 2011-07-03 |
toshinagata1964 | Ruby: AtomRef#exclusion method was incorrectly calling... |
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| 2011-07-03 |
toshinagata1964 | Ruby: Molecule#bond_par, angle_par, dihedral_par, impro... |
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| 2011-07-02 |
toshinagata1964 | Gaff and parm99 parameters: the equilibrium bond length... |
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| 2011-04-26 |
toshinagata1964 | Importing GaussianW fch(k) files were not working becau... |
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| 2010-05-16 |
toshinagata1964 | The native format (mbsf) now preserves the display... |
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| 2010-05-11 |
toshinagata1964 | Flags for 'show graphite' and 'show periodic images... |
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| 2010-05-08 |
toshinagata1964 | Handling of MD dialog is improved. MM/MD calculation... |
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| 2010-05-08 |
toshinagata1964 | The Ruby command wrap_unit_cell was not working correctly. |
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| 2010-05-06 |
toshinagata1964 | Introduce MolbyResourcePath global constant, which... |
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| 2010-04-22 |
toshinagata1964 | Experimental command-line tool for Mac platform. |
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| 2010-04-22 |
toshinagata1964 | The MM/MD engine was not aware of modification of coord... |
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| 2010-03-31 |
toshinagata1964 | Frames can now have variable unit cell parameters. |
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| 2010-03-13 |
toshinagata1964 | DialogItem class is implemented; Dialog#item and Dialog... |
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| 2010-03-09 |
toshinagata1964 | The class RubyDialog is renamed to Dialog. All Molby... |
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| 2010-03-02 |
toshinagata1964 | MDArena#keys is implemented. MessageOutput class is... |
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| 2010-03-01 |
toshinagata1964 | The MDArena attributes 'transient_temperature' and... |
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| 2010-02-28 |
toshinagata1964 | The DISPATOM parameters are renamed to ELEMENT, to... |
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| 2010-02-24 |
toshinagata1964 | Parameter#bond, angle, etc. are no longer implemented... |
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| 2010-02-23 |
toshinagata1964 | The methods of Parameter and ParEnumerable change featu... |
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| 2010-02-23 |
toshinagata1964 | The AtomRef methods cr/cx/cy/cz were made obsolete... |
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| 2010-02-20 |
toshinagata1964 | Ruby commands find_angles and find_dihedrals are made... |
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| 2010-02-18 |
toshinagata1964 | Cleaning up the rdoc comments. |
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| 2010-02-02 |
toshinagata1964 | Undo was not working after running antechamber. Fixed. |
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| 2010-01-23 |
toshinagata1964 | Ruby command: ParEnumerable.lookup now accepts atom... |
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| 2010-01-21 |
toshinagata1964 | initial import |
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