Hello,

I have used Ovito under Linux, with no problems. Not only for creating static images, also for animated movies.

Perhaps you could explain some more what are the problems you are having?

Regards,

Dear Juan José De Miguel !

When I run the Vampire scritp it generates 3 .cfg files, which are attached, however I do not know how to generate a structure from them, this is my question, if you can generate a structure with the files, I will install Linux and try it here. Thank you.

Hello again, Oreci

I have tried your config files, but trying to load them into Ovito using the "Import data" option gives the following error:

XYZ file parsing error: Invalid first line in XYZ file; number of atoms expected but found: #------------------------------------------------------

It looks like you are trying to use a different data format. Here is an example of what I use:

15200

Coverage: 0.000000; Stacking faults: 0.000000

0.900 0.700 0.250 0.00000 0.00000 0.00000 0.500

0.900 0.300 0.100 0.00000 0.00000 1.00000 0.500

0.900 0.700 0.250 0.00000 0.00000 2.00000 0.500

0.900 0.700 0.250 0.00000 1.00000 0.00000 0.500

........

The first line gives the number of atoms in your scene; the data for each atom should come later, one atom per line. The second line is a comment for myself, for identification of each datafile. Then, the following lines give:

R G B X Y Z d

where R,G,B are red green and blue values for rendering the sphere representing the atom, X Y and Z are its coordinates and d is the size (diameter). There are other options that you can use, but I recommend starting with a basic data file and then checking them.

Keep in mind that you can load multiple frames within a single file, this is why the program needs to know how many atoms (= lines) constitute a single frame.

Good luck,

Dear Juan José De Miguel !

Many thanks for your consideration, I will study this problem a little more and try to simulate based on your suggestion.

No problem, glad to help.

In case you are interested, you can check this paper:

L. Lopez-Mir et al., Cryst. Growth Des. 16, 9, 5479

DOI: 10.1021/acs.cgd.6b00933

where you can find some figures (e.g., Fig. 6) made with Ovito using this method. Also a video:

https://pubs.acs.org/doi/suppl/10.1021/acs.cgd.6b00933/suppl_file/cg6b00933_si_002.mpg

Regards