Thumbs up for the SQM geometry optimization with xtb! :) On Fri, 9 Apr 2021 at 20:11, R Mera <raul.m...@usach.cl> wrote:
> Dear PyMOlers, > > I wrote a set of scripts that add what I think is useful structure and MD > analysis capabilities to PyMOL, including Ramachandran plots (structure and > trajectories, points identified with colors), RMSF, RMSD, shape indicators, > and others. > > The whole thing is open-source and very easy to install on Linux. I think > the automated installer will work on Mac also, but I don't own an Apple > machine to test, so it might need some modification. It is available here: > > https://rmera.github.io/goanalyze/ > > I hope it's useful, and I'd be happy to have your feedback, feature > requests, etc. I'll do my best to work on them, within my time constraints > (I am the only dev for the project). > > Cheers! > > Raul > > -- > > Prof. Dr. Raúl Mera Adasme > > Facultad de Química y Biología , > Universidad de Santiago de Chile (USACH). > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- ====================================================================== Dr. Thomas Evangelidis Research Scientist IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en>, Prague, Czech Republic & CEITEC - Central European Institute of Technology <https://www.ceitec.eu/>, Brno, Czech Republic email: teva...@gmail.com, Twitter: tevangelidis <https://twitter.com/tevangelidis>, LinkedIn: Thomas Evangelidis <https://www.linkedin.com/in/thomas-evangelidis-495b45125/> website: https://sites.google.com/site/thomasevangelidishomepage/
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