Dear DX/DX2 users,
I am learning OpenDX. I have a general understanding of DX and I can write a net file for plotting 3D isosurfaces, but I am not a pro. My question is: Giving a position file and a general file as a description, how can I plot a ball-stick structure for a molecule within the modules/macros provided by DX? For example: I have a geo.xyz file and a general file like these: -----------------------------------Geo.xyz---------------------------------- --------- 46 TDPP geo C -7.144175 -0.953942 0.162885 C -5.848447 -1.408507 -0.116238 C -4.862029 -0.424485 -0.265522 . ---------------------------------------------------------------------------- --------------- ----------------------------------Geo.general------------------------------- ----------- file = geo.xyz points = 46 format = ascii interleaving = field header = lines 2 field = field0, locations structure = string[15], 3-vector type = string, float end ---------------------------------------------------------------------------- ---------------- My net file looks like this: FileSelector->Import->AutoGlyph->Image. After executing, I got a picture with white letter on the right positions. But I am wondering how to make it a ball-Stick structure. To bring the problem down, there are three sub questions: 1. How can I tell DX to plot a sphere at the all the positions of carbon, and not simply write a "C" on the point? 2. How can I tell DX to calculate the distance between any two atoms? 3. For distances smaller than a specific number, how can I tell DX to connect the corresponding atoms with a line? Any suggestion will be appreciated. I just don't know which module should be used. And I think maybe a little hint will be great! Thanks.
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