Properly outputting data to Molekel
Posted: Mon Jun 14, 2010 7:49 pm
Firstly I'd like to say that learning how to use abinit has been one of the best experiences I've ever had with a scientific code. The tutorials have been straightforward and helpful, and I've found myself returning to them again and again for reference.
I've had success using cut3d to convert the density files so that they can be examined in both xCrySDen and OpenDX, and I'd like to try my hand at getting them to work on Molekel as well. However, Molekel has so many different formats that I am unsure which one I should choose when importing the converted density file into the program.
Does anyone know the file extension I should choose when saving the file?
I've had success using cut3d to convert the density files so that they can be examined in both xCrySDen and OpenDX, and I'd like to try my hand at getting them to work on Molekel as well. However, Molekel has so many different formats that I am unsure which one I should choose when importing the converted density file into the program.
Does anyone know the file extension I should choose when saving the file?