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molby/Molby.git
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
Memo update.
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2011-04-26
toshinagata1964
Importing GaussianW fch(k) files were not working becau...
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2011-03-02
toshinagata1964
Pasting MD parameters to a molecule with no parameters...
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2010-06-03
toshinagata1964
Crash in MM minimization when no unit cell is defined...
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2010-06-02
toshinagata1964
Xcode project: GCC4.0 is explicitly designated (necessa...
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2010-05-31
toshinagata1964
The nearest-neighbor lookup of nonbonding force calcula...
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2010-05-18
toshinagata1964
The view settings for mbsf files now can be restored...
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2010-05-17
toshinagata1964
wxSources/docview.cpp is added to the project. Trackbal...
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2010-05-16
toshinagata1964
The native format (mbsf) now preserves the display...
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2010-05-14
toshinagata1964
Inconsistency between the Xcode project settings and...
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2010-05-12
toshinagata1964
Calculation of vdw/elect forces was wrong when the...
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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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2010-05-07
toshinagata1964
The MM/MD re-initialization after modification of coord...
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2010-05-06
toshinagata1964
Version 0.5.4
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2010-05-06
toshinagata1964
Introduce MolbyResourcePath global constant, which...
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2010-05-06
toshinagata1964
Windows: the radio buttons with no explicit radio group...
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2010-05-06
toshinagata1964
Some parameter editing caused segmentation fault; fixed.
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2010-05-06
toshinagata1964
Undo of creating atoms caused segmentation fault; fixed.
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2010-05-06
toshinagata1964
Improved handling of DOSish file paths. The functions...
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2010-05-06
toshinagata1964
Importing GAMESS dat file was broken; fixed.
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2010-05-06
toshinagata1964
Added instruction for building and copying resp.
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2010-05-06
toshinagata1964
Removal of double-call of wxDocument::Close() (revision...
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2010-05-06
toshinagata1964
Undo is kept enabled during 'molload' and related calls...
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2010-05-06
toshinagata1964
Add hydrogen was broken; fixed.
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2010-05-06
toshinagata1964
Ambertools dialog is improved.
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2010-05-06
toshinagata1964
generation of internal coordinates (NZVAR=#{3n-5})...
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2010-05-06
toshinagata1964
The amber11 binaries are now built in the project direc...
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2010-05-06
toshinagata1964
Windows: interrupting the subprocess (antechamber etc...
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2010-04-25
toshinagata1964
Mac: the text field in the list control remained on...
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2010-04-24
toshinagata1964
Work around the wxWidgets bug where wxDocument::Close...
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2010-04-23
toshinagata1964
Improved handling of copy/cut/paste in the parameter...
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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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2010-03-20
toshinagata1964
Version 0.5.2
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2010-03-20
toshinagata1964
Some features of Dialog class are modified; Dialog...
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2010-03-20
toshinagata1964
Reference for the Ruby extension is written
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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 Ruby command reorder_atoms is renamed to renumber_a...
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2010-02-23
toshinagata1964
The AtomRef methods cr/cx/cy/cz were made obsolete...
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2010-02-23
toshinagata1964
The return value of Ruby command loadout was incorrect...
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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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2010-02-18
toshinagata1964
Cleaning up the rdoc comments.
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2010-02-18
toshinagata1964
Ruby commands now handle angles in degree, rather than...
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2010-02-18
toshinagata1964
Ruby commands now handle the angles (rotation etc....
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2010-02-06
toshinagata1964
Documents: Molecular Mechanics section is written.
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2010-02-03
toshinagata1964
The multithread handling for MM/MD is improved.
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2010-02-02
toshinagata1964
Undo was not working after running antechamber. Fixed.
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2010-01-31
toshinagata1964
AmberTools-1.3 (part) is bundled.
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2010-01-23
toshinagata1964
the xcode project files <username>.{mode1v3,pbxuser...
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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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