Dear members of the ACS community,
As a sequel of the previous document "Some Simulation Software" I would like to share a potpourri of some of the interesting visualization software I have encountered and worked with.
As always, I hope that theoretical chemists could share their experiences with some of them and feel free to expand this short list.
Following is a summary, that will be completed and improved at a later date (it surely contain some mistakes and should be considered as nothing more than a draft for now).
|AVOGADRO||GPL||Y||Y||2016-06 v1.2.0||Py C++||Y||Available, complete package.|
|CHEMOFFICE||COM||N2||N||2018-04 v17.1||?||Y||2D structure editing, complete.|
|GABEDIT||SITE/BSD||Y||Y||2017-07 v2.5.0||C||Y||batch interface with many codes.|
|GDIS||GPL||Y||Y||2015-02 v0.91||C||N||easy to contribute, and fast3.|
|GHEMICAL||GPL||Y||Y||2011-10 v3.0.0||C++||Y||interface with mpqc, 3D MM.|
|JMOL||LGPL||Y||Y||2018-06 v14.29.17||JAVA||N||can be embedded in web pages.|
|MOLDEN||SITE/COM||N4||N||2018-05 v5.8||F||Y||integration with Gaussian.|
|PLATON||SITE||N5||N||2018-06 -||C F95||Y||best B&W chemical structures.|
|POWDERCELL||SITE||N5||N||2000s v2.4||Pasc.||N||old6, simple XRD pattern to structure.|
|RASMOL||GPL||Y||Y||2011-05 v188.8.131.52||C||N||simple display program.|
|VESTA||SITE||N7||N||2018-03 v3.4.4||C++||N||crystal generation.|
|VMD||SITE||Y||N8||2016-11 v1.9.3||C++ CUDA||Y||GPU acceleration, plugins.|
|XCRYSDEN||GPL||Y||N||2014-06 v1.5.60||C F||N||display primitive Brillouin zone|
1 Molecular Mechanics / Force Field: Allows to quickly optimize a "hand drawn" molecule into a reasonable structure.
2 Some trial software program (for 14 days) exists.
3 As a disclaimer, I am currently collaborating on the elaboration of GDIS.
4 Free for non-profit organizations and academic users.
5 Free for academic use.
6 While the software dates from 2000s it is still widespread and cited in 2018, (also a good educational material).
7 Free for academic, scientific, educational, and non-commercial users.
8 CVS access on request only.
COM - commercial
SITE - on-site license
GPL - general public license
LGPL - lesser GPL
BSD - Berkley software distribution
F - FORTRAN language (usually a mix with 77 and 90 version)
C - C language
C++ - C++ language
Py - Python language
Pasc. - Pascal language
CUDA - NVIDIA GPGPU language
I really hope that, similarly to the previous document, you will find this content to be of interest among ACS community.
-- Hubert OKADOME VALENCIA