計算プログラム/GUI
●MO/MM計算プログラム
OpenMOPAC [ http://openmopac.net/ ]
MOPAC6/RM1 [ http://www.sparkle.pro.br/ ]
GAMESS(US) [ http://www.msg.chem.iastate.edu/gamess/ ]
PC GAMESS [ http://classic.chem.msu.su/gran/gamess/ ]
ORCA [ http://www.thch.uni-bonn.de/tc/orca/index.php ]
TINKER [ http://dasher.wustl.edu/tinker/ ]
ProteinDF / ABINIT-MP (RSS21) [ http://www.rss21.iis.u-tokyo.ac.jp/result/download/index.php ]
●計算の入力作成・実行・出力可視化を行うGUI
Winmostar [ http://winmostar.com/ ]
Facio [ http://www1.bbiq.jp/zzzfelis/ ]
MOLDA [ http://www.molda.org/ ]
Molekel [ http://bioinformatics.org/molekel/wiki/ ]
Molden [ http://www.cmbi.ru.nl/molden/ ]
MacMolPlt [ http://www.scl.ameslab.gov/~brett/MacMolPlt/ ]
Jmol [ http://jmol.sourceforge.net/ ]