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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]]


==CRYSDEN==
* [[Jmol]]


==P4V==
* [[Maestro]]


==JMOL==
* [[MOLDEN]]
Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. It is a relatively light and fast viewer for output from various computational codes. It reads output files from ADF (molecule geometry and molecular vibrations), Gaussian, Jaguar and NWChem, amongst others. It is strictly a viewer, and the newer versions of the program cannot even save simple XYZ-coordinates of the viewed molecule (version 9 still can). The program does allow you to save jpg-pictures and it generates input-files for POVRAY so you can get publication-quality pictures. It does require SUN java 1.4 or later to be installed on the computer, it does not work properly with GNU Java.


Jmol version 9 is currently installed on KIMIK. Current release, available from the Jmol website is version 11.2.23
* [[P4V]]


Jmol website: [http://jmol.sourceforge.net/]
* [[TmoleX]]


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


******
* [[XChemEdit]]


Erik is in charge of updating the ADF section
* [[Geomview]]


Ata is in charge of updating the NWChem &X Chem edit sections
* [[Atomic Simulation Environment (ASE)]]


Eva is in charge of updating Gromacs & Macromodel
==Other software==


Pere is in charge of updating the DLPoly, ADFView & VMD sections
* [[Conquest]], The Interface for the Cambridge Structural Database System


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


Alfons is in charge of updating the Macromodel, Maestro & Gausview sections
* [[JabRef]]


Mónica is in charge of updating the Crysden section
* [[LaTeX]]


Jaime is in charge of updating the P4H section
* terminator, same as the terminal but you can divide your window in several terminals, useful with our big screens.
 
Steven is in charge of updating the Ecce section
 
Gemma is in charge of updating the Molden section

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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