MolStat
Gaussian Input/Output File Viewer
MD Simulation Visualizer/Animator
MolStatGaussian Input/Output File Viewer |
16, Jan, 2003 |
| Japanese | |
MolStat is a software for molecular visualization. MolStat can read Gaussian input and output files, MOPAC input files, TINKER XYZ files, and infrared/raman spectra(J-CAMP DX file). MolStat can show vibrational animation for each normal modes, and is also possible to write out animation as movie file.
This software is provided to you "AS-IS" and without warranty of any kind. You can try this software freely for purpose of personal or academic use. This software is still underdeveloped, and there are still unstabile functions.
probably Windows95R2/98/Me/NT/2000/XP with fast graphic accerelator
Load molecule files from "File" - "Open Molecule"
If molecule is written in cartesian coordinate, the file does not include bonding information, so that click "AutoBondConnection" button to construct bonds.
MolStat can visualize animation from MD simulation, etc. For this purpose, there is special file format.
; ";" is symbol of comments
%ATOMCOLOR 8 #FF0000 54.9 ; atom number, color, radius
%ATOMRADIUS 8 54.9 ; atom number, radius
%FILE 1 GAUSSIAN_OUTPUT "Acetone.out" 0 1 0 0 0 1 1 0 0 ; file number, filetype, filename, rotation matrix
%MOL 2 3 010101010 ; molecule number, number of atoms, connection
%COLOR 123 #FF6666 120 ; atom number, color, raeius
%COLOR 12 #66FF66 120
%COLOR 14 #6666FF 120
%MODELTYPE 2 BALL&STICK 0.2 0.1 ; molecule number, modeltype, ball, stick
%TIMESTEP 5.0 ; timestep(fs)
%DATA
%TIME 5.0 ; time (fs)
%FREQ 1 18 1725.15 0.1 ; identifier, mode number, frequency, magnitude
10 1 0.00 0.00 0.00 0.772 0.106 0.627 -0.628 0.286 0.724 -0.102 -0.952 0.287 FREQ 1 ; moltype, file number, posx, posy, posz, 9 rotation matrix elements, frequency identifier
0 2 14 2.17 -3.63 2.01 12 2.90 -2.94 2.62 123 3.80 -2.09 3.39 ; moltype, molecle number, atom number, x, y, z, (...)
0 2 14 2.28 -3.98 -3.98 12 2.68 -3.32 -3.10 123 3.19 -2.50 -2.00
0 2 14 5.25 0.83 0.82 12 5.78 0.08 0.09 123 6.45 -0.85 -0.82
0 2 14 2.39 1.74 1.90 12 3.01 2.56 2.45 123 3.78 3.59 3.14
0 2 14 2.00 2.17 -3.80 12 2.74 2.53 -2.97 123 3.65 2.97 -1.92
0 2 14 -6.37 0.62 0.60 12 -5.55 0.05 -0.01 123 -4.53 -0.66 -0.77
0 2 14 -3.69 -3.75 2.34 12 -2.94 -3.09 2.94 123 -2.00 -2.26 3.69
0 2 14 -0.71 0.85 6.15 12 0.00 0.18 5.51 123 0.89 -0.65 4.70
0 2 14 -0.86 0.62 -4.84 12 -0.07 -0.05 -5.38 123 0.92 -0.88 -6.06
0 2 14 -3.44 -3.61 -3.78 12 -2.63 -3.08 -3.12 123 -1.62 -2.42 -2.31
0 2 14 -3.73 2.09 2.27 12 -2.84 2.77 2.61 123 -1.72 3.61 3.04
0 2 14 -3.58 2.12 -3.98 12 -2.70 2.56 -3.34 123 -1.60 3.10 -2.54
0 2 14 -0.82 6.35 0.56 12 -0.02 5.87 -0.14 123 0.99 5.27 -1.01
0 2 14 -0.70 -5.08 0.98 12 0.12 -5.67 0.40 123 1.15 -6.41 -0.33
%TIME 10.0
%FREQ 1 18 1724.49 0.1
10 1 0.00 0.00 0.00 0.767 0.118 0.631 -0.631 0.316 0.709 -0.116 -0.942 0.316 FREQ 1
0 2 14 2.18 -3.65 2.03 12 2.92 -2.96 2.62 123 3.84 -2.11 3.36
0 2 14 2.28 -4.01 -4.01 12 2.67 -3.36 -3.11 123 3.14 -2.55 -2.00
0 2 14 5.25 0.83 0.81 12 5.79 0.08 0.09 123 6.46 -0.86 -0.81
0 2 14 2.41 1.71 1.90 12 3.03 2.55 2.43 123 3.81 3.59 3.09
0 2 14 2.00 2.19 -3.82 12 2.74 2.50 -2.97 123 3.67 2.89 -1.92
0 2 14 -6.38 0.60 0.59 12 -5.54 0.05 -0.01 123 -4.50 -0.64 -0.76
0 2 14 -3.72 -3.77 2.37 12 -2.95 -3.12 2.97 123 -2.00 -2.30 3.71
0 2 14 -0.73 0.86 6.13 12 0.01 0.20 5.50 123 0.92 -0.62 4.72
0 2 14 -0.88 0.60 -4.85 12 -0.06 -0.06 -5.36 123 0.97 -0.88 -6.00
0 2 14 -3.45 -3.61 -3.78 12 -2.61 -3.10 -3.14 123 -1.56 -2.47 -2.34
0 2 14 -3.75 2.10 2.31 12 -2.84 2.77 2.61 123 -1.70 3.61 2.99
0 2 14 -3.59 2.14 -4.01 12 -2.69 2.54 -3.38 123 -1.56 3.04 -2.61
0 2 14 -0.84 6.34 0.54 12 -0.02 5.89 -0.16 123 1.01 5.33 -1.03
0 2 14 -0.71 -5.10 1.01 12 0.14 -5.68 0.44 123 1.19 -6.41 -0.27
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| 6 Oct. 2002 | -- MolStat Developing Preview Version 0.901 |
| 19 Nov. 2002 | -- MolStat Developing Preview Version 0.902 |
| 25 Nov. 2002 | -- MolStat Developing Preview Version 0.903 |
| 26 Nov. 2002 | -- MolStat Developing Preview Version 0.904 |
| 3 Dec. 2002 | -- MolStat Developing Preview Version 0.905 |
| 4 Dec. 2002 | -- MolStat Developing Preview Version 0.906 |
| 5 Dec. 2002 | -- MolStat Developing Preview Version 0.907 |
| 12 Dec. 2002 | -- MolStat Developing Preview Version 0.908 |
| 15 Jan 2003 | -- MolStat English 0.908en0 |
| 16 Jan 2003 | -- MolStat English 0.908en1 |
Name: NOMOTO Tomonori
URL: http://T.NOMOTO.org/MolStat/
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