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image 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:


Masahiko Suenaga, Ph.D.
Department of Chemistry,
Graduate School of Sciences,
Kyushu University, Japan


M. Suenaga, J., "Facio: New Computational Chemistry Environment for PC GAMESS ," Comput. Chem. Jpn., Vol. 4, No. 1 pp. 25-32 (2005)
M. Suenaga, J., "Development of GUI for GAMESS / FMO Calculation," Comput. Chem. Jpn., Vol. 7, No. 1 pp. 33-53 (2008)

Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.