Excuse if an FAQ (I did not immediately find the answer on the sf site!) but are there any plans to support pmesh surfaces?
There is an excellent site at http://www.otterbein.edu/home/fac/dnhjhns/symmetry/details.html
(there may be many others) which does good things with pmesh surfaces!
PS The above generates the pmesh surface using Excel. Does anyone have other experiences creating pmesh surfaces, using perhaps other 3D tools? How for example would one generalise the alignment of a pmesh surface with a molecular coordinate frame?
Even more ambitious would be software that transforms (a subset?) of eg 3dmf files to pmesh files. That would open up the world of molecular orbitals (3dmf files are generated by programs such as Chem3D, MacMolPlt etc). The challenge is that such files can be big (and here I mean 2-10 Mbytes) and optimising them for size is a challenge! --
Henry Rzepa. Imperial College, Chemistry Dept. +44 0778 626 8220 +44 020 7594 5804 (Fax)
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