Thank you very much, now it works well.....but.... At the moment the maximum ratio between sphere radii is 5. But in the future I plan to visualize spheres with very different radii, and this will be a problem. I made some experiments and I saw that the maximum radius allowed is 16.38. In the jmol documentation they say that a radius smaller than 0.9 will be set to 0.9. I made some experiments and this is approximately true. This mean that the maximum radii ratio that can be visualized correctly is about 18 (if the lengths are conveniently scaled). Is there a solution if I would like to visualize packings of spheres with very different radii, say for example 1:100 or more?
Thank you for bearing with me :) >Hi Andrea > >> Yes, I went quite mad to arrange the columns in the correct format. > >Well, column positions in your example do NOT match what I take for >the correct format, as exemplified in >http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/pqr/1 >FAS.pqr > >I had to shift your Q and R data by 1-2 columns to get them right. I >am not sure if that was what solved the problem (I made several >attempts), but you should do it anyway. > > >> Yes, but the radii are scaled down... > >Yes. With the original radii I could only see 2 atoms out of the 5, >at spacefill 100%. It seems that, like you suggest, there is a limit >to the size of atoms in Jmol rendering. >I suggest that you reduce both the radii and the coordinates by the >same factor (1/10). That may be the clue for efficient interpretation >and display. > > >> However the problem is not in loading the file. File is loaded and spheres >> are displayed in the correct positions, > >Well, the coordinates will beb read correctly, but the radii may not >if they are not in the right columns. > > > > > ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
