OSDN -- 오픈 소스 소프트웨어 개발 및 다운로드
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Gabedit is a graphical interface for the FireFly, Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, ORCA, and Q-Chem computational chemistry packages. It includes a 3D molecule editor and viewer. Most major molecular file formats are supported, and graphics can be exported in many formats.

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2007-09-07 20:03 Back to release list
2.1.0

버그가 수정되었습니다. PCGamess 및 Q - 화학은 이제 지원됩니다. 가우스의 ONIOM 방법은 지원되지 않습니다. 분자 동역학과 시뮬레이션 소둔 Gabedit에서 () 99 분자 메커니즘을 사용하여 매개 변수를 앰버 구현됩니다. 무승부 적외선, 라만, NMR, 그리고 자외선을위한 새로운 윈도우 / 가시 광선 구현됩니다.
Bugs were fixed. PCGamess and Q-Chem are now supported. The ONIOM method of Gaussian is now supported. Simulated Annealing with Molecular Dynamics is implemented in Gabedit (using Amber 99 molecular mechanics parameters). New windows for draw IR, Raman, NMR, and UV/Visible spectrum are implemented.

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