11/4/2022 0 Comments Avogadro2 githubThe development process uses distributed version control (Git). You are receiving this because you authored the thread. Avogadro 2 is a chemical editor and visualization application, it is also a set of. I've never been able to crash Avo2 on my Mac, so I'm curious. On Feb 4, 2020, at 11:01 PM, Geoff Hutchison wrote: That’s nice -īut if Avo 2 is not functionally equivalent to Avo 1.2, then those advantages are not helpful. It appears that Avo 2 is a ground-up rewrite of Avo 1.2, with a different toolbox for the GUI, faster response to menu choices, etc. PDB is the “lingua franca” of molecular structures. There’s no Properties windows for Atoms / Bonds / Angles / Torsions, so no way to edit these numbers to precise values.Īvo 2 cannot read or write pdb files. It seems there’s a Plugin Downloader (under Extensions) with a plugin for structures,īut the downloader doesn’t do anything when I select plugins and press the button. There’s no “Add Fragment” menu item, and Build / Insert / SMILES… doesn’t work. This is basically fatal, since e.g., building an alkane gives an incorrect C-C bond length of 1.07A, with atoms so close together it’s difficult to select bonds. I can’t clean up structures with energy minimization (there’s no button on the toolbar, and menu item Extension / OpenBabel / Optimize Geometry doesn’t work). I didn’t get Avo 2 to crash, but functionally it is a big step backwards from Avo 1.2: AVOGADRO2 GITHUB MACI re-examined the Mac version of Avo 2 this morning, and reminded myself why it is unusable for me in its present form. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |