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Facio

This resource has a 6.0 Ranking

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Last 12 Months: updated 01 Oct, 2008
Users: 13
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Avg. Review: 0.0 out of 5 stars
Citations: 0

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Contributor(s) Masahiko Suenaga
Kyushu University
Abstract

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: http://www1.bbiq.jp/zzzfelis/Facio.html

Credits Masahiko Suenaga, Ph.D.
Department of Chemistry,
Graduate School of Sciences,
Kyushu University, Japan
References 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)
Cite this work

If you reference this work in a publication, please cite as follows:

  • Suenaga, Masahiko (2008), "Facio," http://www.nanohub.org/resources/4628/.

    BibTex | EndNote

Date posted 27 May, 2008
Type Downloads
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