Dimeropt.py is a Python library to build hollow nanotubes from molecular coordinates of Pt-Diethynylbiphenyl (DimeroPt).
Refer to reference [1] for details.
| Author: | Christoph Gohlke |
|---|---|
| Version: | 2022.7.1 |
This release has been tested with the following requirements and dependencies (other versions may work):
- Python 2.7
- Numpy 1.7
- PyCifRW 3.5
- Matplotlib 1.2 (optional for plotting)
- CCDC deposit number 292024 crystallographic information file. The filename must be "dimeropt.cif".
- Self-assembly of nanostructured polymetallaynes polymer. I Fratoddi, C Gohlke, C Cametti, M Diociaiuti, M V Russo. Polymer 49(15), 3211-16, 2008. doi: 10.1016/j.polymer.2008.05.022
- Platinum (II) dialkynyl bridged binuclear complex and related multinuclear oligomer: Comparison of EXAFS and X-ray crystal structure studies. C Battocchio, F D'Acapito, I Fratoddi, A La Groia, G Polzonetti, G Roviello, M V Russo. Chemical Physics 328(1-3), 269-274, 2006.