Running Chemcraft 단국대학교 임석호. OUTLINE What is Chemcraft? Chemcraft basics.

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Presentation transcript:

Running Chemcraft 단국대학교 임석호

OUTLINE What is Chemcraft? Chemcraft basics

What is Chemcraft ChemCraft is a Windows-based graphical program for working with quantum chemistry computations. Rendering 3-dimensional pictures of molecules by atomic coordinates with the possibility to examine or modify any geometrical parameter in the molecule (distance, angle) Chemcraft support Gamess, Gaussian, ADF, NWChem, etc…

Chemcraft basics Open 을 이용하여 file 을 불러온다

Chemcraft basics Input file 의 경우 몇 개의 작업을 하는지 나온다. Output file 의 경우 어떤 작 업을 하는지 나온다.

Chemcraft basics

xyz format Xmol format

Chemcraft basics

Isometryperspective

Chemcraft basics 화면을 직전 / 직후로 되돌린다.

Chemcraft basics

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