how to draw fullerene and porphyrin

[shank]

Dear all
please help me to draw fullerene and porphyrin  between two elecytrode to measure IV.

with regards
shank

[zh]

First, you can search the xyz or pdf files for their molecule structures from internet by Google. Of Course, you may build them by yourself using "Molecule Builder" of VNL. Then you can use the "Atomic manipulator" to build their two-probe systems.
For example: porphyrin fe(iii) can be found here:
http://xray.bmc.uu.se/hicup//POR/index.html
http://www.3dchem.com/inorganicmolecule.asp?id=1403

[Anders Blom]

A C60 molecule as XYZ is attached, perhaps it helps a bit. The new VNL (2009.06) has an entire cupboard of various fullerenes.

[shank]

Thanks for reply.Is it possible to import the structure drwan in chem draw  to VNL for I-V
with regards

[Anders Blom]

As far as I recall, ChemDraw is an illustration program. To run a calculation in ATK, you need the actual coordinates of the atoms, e.g. in an XYZ file. Perhaps ChemDraw has such an export function, and in that case you could do it. I would doubt that it does, but on the other hand it does have "interfaces" to QM software like MOPAC, so perhaps...

Otherwise I suggest you use a real molecular editor, like those in VNL or some external software that can produce an XYZ file.