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Molden
go back to [[Main Page]], [[Computational Resources]]
ADFview
VMD


There are different Graphical User Interface programs installed (or not installed but available) in clusters and/or personal computers. Here you can find a list of them and the link to obtain more information about how to run or install them. In addition, below the chemical software list you can find a list of programs (GUI, too) than can be interesting for you.


==GAUSS VIEW==
==Chemical software==


[[GAUSS VIEW]] [http://www.gaussian.com/g_gv/gvtop.htm]
* [[ADF View]]


==ADFVIEW==
* [[Avogadro]]


==VMD==
* [[CRYSDEN]]


[[VMD]] [http://10.0.7.240/wiki/images/files/vmd/ug.pdf]
* [[ECCE]]


==ECCE==
* [[Gauss View]]


==MOLDEN==
* [[j-ice]]
Molden is a package for displaying molecular density from the Ab Initio packages Gamess and Gaussian and the Semi-Empirical packages Mopac/Ampac. Scripts have also been written to convert the output from other Ab Initio programs to Molden format (see link below). In addition, the Xwindows version of Molden can import and display chemx, PDB, and a variety of mopac/ampac files and other formats.
Molden has a flexible Z-matriz editor which allows full control over the geometry, and structures can be written in several different formats. The program can animate reaction paths and molecular vibrations, and can display molecular orbitals, electron density as contour plots, and 3-D grid plots. There is also an OpenGL version available which generates more user friendly plots via an external helper program.
Molden can write a variety of graphics instructions; postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and Figure.


==CRYSDEN==
* [[Jmol]]


==P4V==
* [[Maestro]]


==JMOL==
* [[MOLDEN]]


* [[P4V]]


******
* [[TmoleX]]


Erik is in charge of updating the ADF section
* [[VMD]] [http://10.0.7.240/wiki/images/files/vmd/ug.pdf]


Ata is in charge of updating the NWChem &X Chem edit sections
* [[XChemEdit]]


Eva is in charge of updating Gromacs & Macromodel
* [[Geomview]]


Pere is in charge of updating the DLPoly, ADFView & VMD sections
* [[Atomic Simulation Environment (ASE)]]


Christophe is in charge of updating the Jaguar section
==Other software==


Alfons is in charge of updating the Macromodel, Maestro & Gausview sections
* [[Conquest]], The Interface for the Cambridge Structural Database System


Mónica is in charge of updating the Crysden section
* ISI web of knowledge and The SciFinder Scholar, look at [[Papers]]


Jaime is in charge of updating the P4H section
* [[JabRef]]


Steven is in charge of updating the Ecce section
* [[LaTeX]]


Gemma is in charge of updating the Molden section
* terminator, same as the terminal but you can divide your window in several terminals, useful with our big screens.

Latest revision as of 09:11, 2 January 2022

go back to Main Page, Computational Resources

There are different Graphical User Interface programs installed (or not installed but available) in clusters and/or personal computers. Here you can find a list of them and the link to obtain more information about how to run or install them. In addition, below the chemical software list you can find a list of programs (GUI, too) than can be interesting for you.

Chemical software[edit]

Other software[edit]

  • Conquest, The Interface for the Cambridge Structural Database System
  • ISI web of knowledge and The SciFinder Scholar, look at Papers
  • terminator, same as the terminal but you can divide your window in several terminals, useful with our big screens.
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