get it from: http://tovganesh.googlepages.com/mobimol.py, as usual the older version(s) are no longer available.
- added line and circle model for displaying atoms (as suggested by korakotc, thanks)
- thanks to cyke64 for announcing mobimol in nokia developer forum and giving an example .xyz file :)
Could you provide more molecules in .xyz format (with many atoms :-) What means "dihedral" and how to query this ?
I think that you already upgraded to a new version : v04 ;-)
in fact v0.5 ;)
i have also added benz.xyz here:
will try to put more .xyz files.
dihedral also means torsian angles. i.e. the angle formed by intersection of two planes. so you need 4 atom indices to query a dihedral, of which the first 3 and the last 3 define the required two planes.
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