Facio is a 3D-graphics program for molecular modeling and visualization of quantum chemical calculations(GAMESS and Gaussian).
It is a GUI for FMO (Fragment MO) calculation. Selected features include:
(1) From a PDB file, create GAMESS/FMO input with 4 mouse clicks.
(2) Manual fragmentation for the non-peptide pieces if needed.
(3) Protonation and geometry refinement (using TINKER of WinGamess).
(4) Easy wave function and basis set selection.
(5) Multilayer input support.
(6) FMO result visualization (PIEDA).
Facio Website: http://www1.bbiq.jp/zzzfelis/Facio.html
Department of Chemistry,
Graduate School of Sciences,
Kyushu University, Japan
M. Suenaga, J., "Development of GUI for GAMESS / FMO Calculation," Comput. Chem. Jpn., Vol. 7, No. 1 pp. 33-53 (2008)
Cite this work
Researchers should cite this work as follows:
- molecular orbital
- nanobio applications
- computational chemistry
- quantum chemistry