VMD-L Mailing List

From: FX (fxcoudert_at_gmail.com)
Date: Wed Dec 01 2021 - 04:14:59 CST

Hi John, hi VMD users,

I am wondering if it would be possible to include the CIF molfile plugin, that I tried to contribute, in the alpha builds? I have met many colleagues would say it would be useful to them. I know there were questions because it uses C++11, but I am sure at least on macOS Intel and ARM (where the system compiler supports C++11 since macOS 10.9, released 7 years ago) the dependency would not be a problem.

PS: I would gladly make the effort to distribute such builds myself, but this would be in violation of the VMD license :(

Best regards,
FX 

-- 
Dr. François-Xavier Coudert
Senior Researcher / Directeur de Recherche CNRS at Chimie ParisTech
Professeur attaché ENS / PSL University
Webpage: https://urldefense.com/v3/__https://www.coudert.name/__;!!DZ3fjg!vkU2nNUOVBtIl5dauRx0eItH6gR5rwwCbGWFQpd9_R3c6LrbexhCXtXZemZuhbAZ9A$ 
> Le 4 avr. 2020 à 18:10, FX <fxcoudert_at_gmail.com> a écrit :
> 
> Hi everyone,
> 
> Attached is an updated version of the CIF molfile plugin, which is improved in several ways:
> 
> - it can read multiple groups (frames) from the same CIF file, if they have the same number of atoms
> - it ignores leading groups with zero atoms (usually used for comments, for example in files from the ICSD database)
> - it can now write coordinates in CIF format
> 
> I’d love to get feedback from users about it, but I don’t really know how. If you use my 64-bit macOS build, you can find the compiled plugin here (https://urldefense.com/v3/__https://www.dropbox.com/s/0bq444sympgqm42/cifplugin.so.gz?dl=0__;!!DZ3fjg!vkU2nNUOVBtIl5dauRx0eItH6gR5rwwCbGWFQpd9_R3c6LrbexhCXtXZemYVfikqrQ$ ), download it, and install it inside the app (put it inside the VMD app bundle, so its path is "VMD 1.9.4a38.app/Contents/vmd/plugins/MACOSXX86_64/molfile/cifplugin.so”)
> 
> Maybe once it gets into the official “alpha” builds from VMD, we can get more testing exposure. Not sure what the timeline is for a future build, or for a 1.9.4 release.
> 
> Best regards,
> FX
> 
> -- 
> Dr. François-Xavier Coudert
> Senior Researcher / Directeur de Recherche CNRS
> at the Institut de Recherche de Chimie Paris
> Professeur attaché ENS / PSL University
> Webpage: https://urldefense.com/v3/__https://www.coudert.name/__;!!DZ3fjg!vkU2nNUOVBtIl5dauRx0eItH6gR5rwwCbGWFQpd9_R3c6LrbexhCXtXZemZuhbAZ9A$