update it to version 1.1
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Hello ;
I am using the licensed version 0.9.8. Can I update it to version 1.1 for free?
Hello,
Thank you for being PyRx customer. You can use "Help > Check for Updates..." within the PyRx application; this will initiate a search for available updates to your current version. If this doesn't work, you can use the manual procedure described in https://pyrx.sourceforge.io/recent-changes-in-vina-web-services-and-mac-os-x-updates/
The 1.1 version includes a new “rf-score-vs.exe” executable, that you'll need to download separately.
The update is only version 1.0. How do we provide the “rf-score-vs.exe” executable file?
You need to download from https://github.com/oddt/rfscorevs_binary/tree/master. There an option to set the path as shown in https://pyrx.sourceforge.io/pyrx-11-release-announcement/
I will buy the Pyrx 1.1 but i only have one question. I am unable to process lanthanum and rare earth elements as ligands in Pyrx 0.8 free version. Can you please confirm that you can do it in the latest version? Here's the ligand file: https://www.rcsb.org/ligand/LA
Dear Piyush,
Thank you for your interest in purchasing PyRx. Unfortunately, lanthanum and similar elements are not supported by AutoDock/Vina and most forcefields, thus they cannot be processed.
If you are interested, we can try to provide a custom approach, if you are only docking single elements (i.e. as in the ligand you provided), it might be possible to write a custom script to perform docking on the single elements, if you are interested in this service, please contact us via email (dallakyans@gmail.com , crescent_silico@outlook.com).
Best regards,
Omar