About PorphyrinViLiGe™

The PorphyrinViLiGe™ program was developed to simulate combinatorial processes and to enumerate products and isomers in the domain of porphyrins (and other tetrapyrrole macrocycles) via virtual library generation.  The program was conceived, developed and tested by Drs. Masahiko Taniguchi, Hai Du, and Jonathan S. Lindsey from summer 2010 – summer 2011. The program and results have been described: "Virtual Libraries of Tetrapyrrole Macrocycles. Combinatorics, Isomers, Product Distributions, and Data Mining," Taniguchi, M.; Du, H.; Lindsey, J. S.  J. Chem. Info. Model. 2011, 51, 2233–2247. The program has been applied in one example concerning prebiotic chemistry: " Tandem Combinatorial Model for the Prebiogenesis of Diverse Tetrapyrrole Macrocycles," Taniguchi, M.; Soares, A. R. M.; Chandrashaker, V.; Lindsey, J. S. New J. Chem. 2012,  36, 1057-1069. New terminology was recently introduced to delineate isomers within combinatorial libraries: " Diversity, Isomer Composition, and Design of Combinatorial Libraries of Tetrapyrrole Macrocycles," Taniguchi, M.; Lindsey, J. S. J. Porphyrins Phthalocyanines 2012, 16, 1-13. A lengthy review concerning tetrapyrrole isomers has been prepared: " Enumeration of Isomers of Substituted Tetrapyrrole Macrocycles: From Classical Problems in Biology to Modern Combinatorial Libraries," Taniguchi, M.; Lindsey, J. S.in Handbook of Porphyrin Science; Kadish, K. M.; Smith, K. M.; Guilard, R., Eds.; World Scientific: Singapore, 2012, Vol. 23, pp. 1-80.

Current version

PorphyrinViLiGe™ 1.0 employs the aforementioned new terminology to delineate isomers. To inquire about obtaining a preprint, please contact the authors. Also, please feel free to send any questions about operation of PorphyrinViLiGe™.

Download

  1. Download and un-ZIP the PorphyrinViLiGe™ program files. All unzipped files must reside in one folder; the folder can be saved anywhere on your computer.
  2. The unzipped files are: Example Files (folder), BASEMasses.txt, mwtable.csv, PorphyrinViLiGe.exe, Reagents.txt.
  3. There is no installer. The name of the extracted executable file is PorphyrinViLiGe.exe. Start the program by double-clicking the executable file, PorphyrinViLiGe.exe.
  4. PorphyrinViLiGe™ runs under Windows XP, Vista, and 7. There is no Macintosh version ofPorphyrinViLiGe™.
  5. Make sure the Microsoft .net framework version 3.5 or higher is installed on your computer.
  6. To explore the example files, select File/Open from the PorphyrinViLiGe™ menu bar and select one of the numbered items. The folder of example files will open, and you can select any example file.