ViewMol3D

 

ViewMol3D changes history

1.00 - VM3 can read Alchemy MOL format, 19 Mar 97
1.10 - Added perspective view
1.20 - VM3 can read MOPAC/AMPAC output files
1.30 - Added CPK molecule model
1.40 - Cylindrical bonds
2.00 - VM3 can read GAMESS output files
3.02 - Added second light, 24 Nov 98
3.14 - Added atom charge viewing, 27 Nov 98
3.16 - MOPAC charges also was added, 2 Dec 98
3.17 - VM3 can read GAUSSIAN 9x output files, 2 Dec 98
3.18 - Added mouse support for rotating
3.20 - Sphere subroutine rewriten
3.30 - Added mouse support for selecting atoms and making measurement
3.50 - Added numeration of atoms, 22 Apr 99
3.62 - Sphere subroutine was optimized, 25 Oct 99
3.63 - Added measurement of dihedral angles, 13 Nov 99
3.70 - Added reading and displaying IR vectors from GAMESS output
3.71 - Added reading and displaying IR vectors from Gaussian output, 8 Dec 99
3.72 - Added reconition of iodine atoms
3.73 - Added new format - XYZ (thanks to Qadir)
3.74 - Corrected bonding between hydrogen atoms
3.75 - Added GAMESS gradient vector reading
3.76 - Added Gaussian gradient vector reading
3.77 - Increased MaxAtoms to 1024
3.78 - Corrected determination of dihedral angles (thanks to CCL)
3.79 - Added transparency of bonds, 8 Aug 02
3.80 - Experimental version, didn't work properly
3.90 - Added recognition of OpenGL hardware support and qualtity adjust
3.91 - Added possibility to add/delete bonds - key 'k'
3.92 - Cylinder subroutine rewriten - corrected displaying of bonds, especially transparent
3.93 - Added BMP screenshot save possibility - key 'p'
3.94 - Added multistructure reading and displaying (experimental only yet)
3.95 - Added displaying of energy profile (experimental only yet)
4.00 - Added dynamical memory allocation
4.01 - Fixed IR vectors memory allocation error, 4 Mar 03
4.02 - Fixed new bonds creation memory allocation error
4.03 - Fixed IR vectors displaying (error since 4.00), 24 Mar 03
4.04 - Fixed bonds memory allocation error while reading GAMESS output files (thanks to Jason T Mogavero)
4.05 - Removed transparency of bonds
4.06 - Added rendering with high quality - key 'u'
4.10 - Improved quality and resolution of the screen saving by adding offscreen rendering capability, 25 Mar 04
4.11 - Keyboard and mouse interface was rewritten
4.12 - Added simple menu
4.13 - Added saving 3D scene to the POV-Ray file
4.14 - Sphere and Cylinder procedures were speeded up, removed redundant calculations of trigonometric functions and geometric primitives
4.15 - Corrected and extended the tables of atomic radii
4.16 - New procedure of bond creation based on van-der-Waals radii
4.17 - Added experimental MolPro support, 2 Aug 04
4.18 - Added message windows instead standart output
4.19 - The ViewMol3D is a real Windows GUI application now, not console one
4.20 - A few bugs were found and fixed, 26 Nov 04
4.21 - Now ini file is used for key parameters storage
4.22 - Added rendering using hardware Pixel Buffer, much faster than software rendering, 28 Nov 04
4.23 - Saving image to the PGN-24 format was implemented, 1 Dec 04
4.24 - Added: file open dialog is opening now if the file name is not supplied in command line, 5 Dec 04
4.25 - Added: color bonds option, 13 Dec 04
4.26 - Improved: sources were rewrited in C++ style with classes usage, 10 Jan 05
4.27 - Improved: memory managment, especially for frequences storage. Vector template is used for all dynamic arrays now, 18 Jan 05
4.28 - Added: basic editing capabilities, it is now possible to change bond length and angles for the choosen atom, 21 Jan 05
4.29 - Added: export to XYZ file to save edited structure, 22 Jan 05
4.30.1 - Fixed: reading and displaying of GAMESS vibration vectors, 1 Mar 05
4.30.2 - Fixed: substructures reading in GAMESS and Gaussian files, 5 Mar 05
4.30.3 - Fixed: reading of XYZ files generated by the Gaussian, 8 Mar 05
4.31.1 - Added: rotate angle parameter in the INI file, 5 Apr 05
4.31.2 - Improved: font procedure for atom's numbers, 7 Apr 05
4.31.3 - Changed: TK(GLaux) library deleted, 11 Apr 05
4.32.1 - Added: file opening possibility during the session, 12 Apr 05
4.32.2 - Changed: added new buttons, menu was restructured, 13 Apr 05
4.32.3 - Fixed: POV-Ray file saving, 14 Apr 05
4.32.4 - Fixed: perspective view, wire bonds, 14 Apr 05
4.33.0 - Added: MINDO/3 heat of formation calculation, 22 Apr 05
4.33.1 - Added: MINDO/3 analytical energy gradients calculation, 22 Apr 05
4.33.2 - Added: MINDO/3 energy second derivatives calculation using finite differential scheme, 23 Apr 05
4.33.3 - Added: MINDO/3 geometry optimization, L-BFGS method, 25 Apr 05
4.33.4 - Added: MINDO/3 molecular orbitals visualization, 26 Apr 05
4.33.5 - Improved: to visualize the MINDO/3 molecular orbital the Marching Cubes algorithm is used now, 28 Apr 05
4.33.6 - Added: Extended Huckel Method, as initial guess for MINDO/3 and for structure bonding, 10 May 05
4.33.7 - Added: Principal axes calculation and structure reorientation according to it, 2 Feb 06
4.33.8 - Fixed: Crash after exit, 8 Feb 06
4.33.9 - Added: Coordinate axes display possibility, 9 Feb 06
4.33.A - Added: Translate of the molecule by Shift+Mouse moving, 9 Feb 06
4.34 - New: Molecular surface view by Polygonizer alghoritm, 27 Feb 06
4.34.1 - Fixed: memory leak in Polygonizer, 8 Mar 06
4.34.2 - Speed up: Triangles rendering genereted by Polygonizer, 12 Mar 06
5.00.alpha.1 - New: Interface changed from native Windows to cross-platform FLTK library, 20 Mar 06
5.00.alpha.2 - New: Linux version was created, 24 Mar 06
5.00.alpha.3 - Added: New MINDO/3 parameters for Silicon, 2 Apr 06

Back to the ViewMol3D Page

Back to the Andrew B. Ryzhkov Page