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cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
http://avogadro.cc/
GNU General Public License v2.0
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MAC OS avogadro V1.2.0 can not open gaussian input file gjf, even the gjf file is producted by itself. #959

Closed zhouych87 closed 3 years ago

zhouych87 commented 3 years ago

My avogadro can not open gaussian input file gjf. Even the gjf file is producted by itself.

give error:

Reading molecular file failed, file /Users/xxxxx/flip/test.gjf. version infomation:

image

It is in a MAC OS

ghutchis commented 3 years ago

Avogadro uses Open Babel to read files - OB has never supported reading Gaussian input because frankly people do too many weird things.

But if you want to help write a gjf / Gaussian input reader to Open Babel, it would certainly be accepted: https://github.com/openbabel/openbabel