Hello everyone!

We are glad to announce the new application CurieMarieDock (cmdock). Currently for Windows 64bit and MacOS 64bit, and more platforms will follow. If you observe errors or undesirable effects in it, please report.

With this application, there is no need for installing MS Visual C++ Redistributable for Visual Studio.

CurieMarieDock is a molecular docking application developed as a fork of RxDock by the authors of the basic COVID.SI project: Marko Jukić, Nejc Ilc, Davor Sluga, Črtomir Podlipnik, and Gašper Tomšič.

Thank you everyone for participating.

Hi Natalia!

Congrats!!!
Hope the Linux version of the cmDock is coming soon!
Will there still be a supply of WUs for the 'old' rxDock until then?

//Gunnar

"run only selected applications" in preferences ?

Yes, there are still tasks for the first application.

Thanks for the tip, I added it.

I noticed in docking_log link to "https://www.curiedock.org/" but it does not work

I noticed in docking_log link to "https://www.curiedock.org/" but it does not work

Below is some info from the Whois database:
Age: 24 days old
Created on: 2020-11-08
Expires on: 2022-11-08
Updated on: 2020-11-08
Domain Status: Registered And No Website
Registrar: Gransy s.r.o. (a Chez web registrar)
Domain Status: inactive

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The CurieMarieDock macOS application errors out (on macOS 10.15):

<core_client_version>7.16.14</core_client_version>
<![CDATA[
<message>
process exited with code 1 (0x1, -255)</message>
<stderr_txt>
20:40:52 (60277): wrapper (7.5.26013): starting
application $PWD/bin/rbdock missing

</stderr_txt>
]]>

Yes, thank you, fixed an error.

I noticed in docking_log link to "https://www.curiedock.org/" but it does not work

Yes, the website is still not up, but the authors are working on it.

Hi!

My computers are hungry and need more WU-food! :-)

Seems we ran out of work for the rxDock app about 6 UTC this morning.
Still over 10000 tasks left for the curieDock, but not for Linux computers.

//Gunnar

Is it just coïncidence, cause the dockings were simpler, or is cm-docking faster than the rx-docking?

Om my Windows machine comparing the last 20 tasks from each application: rxdock avg cpu 8533 sec./task and cmdock avg cpu 6687 sec./task.

It seems no coïncidence then from the server status page the average runtime of last 100 tasks: rxdock 1.19 hours and cmdock 0.99 hours.

You are right, CurieMarieDock is an optimized version. We hope to know more details when the authors make a website. So the tasks are of same size and format, but dockings are faster.

Hi!

We're completely run out of rxDock tasks for our Linux computers again!!!
Seems the WU-generator doesn't generate rxDock tasks in the volume needed, and doesn't sense that there's a lack of just rxDock tasks.

//Gunnar

Maybe they aren't going to make more tasks for RxDock. My understanding is that CurieDock will replace RxDock.
There were a few thousand earlier today but now they are gone.

Plenty of CurieDock tasks but those aren't available for Linux yet.

If you observe errors or undesirable effects in it, please report.

I am getting errors on macs:

Here is a sample:

https://fightcovid.boinc.ru/sidocktest/result.php?resultid=1003841

Stderr output
<core_client_version>7.16.6</core_client_version>
<![CDATA[
<message>
process exited with code 1 (0x1, -255)</message>
<stderr_txt>
17:30:57 (92669): wrapper (7.5.26013): starting
application $PWD/build/cmdock missing

</stderr_txt>
]]>

---

Reno, NV
Team: SETI.USA

Hi Natalia!

Thanks for the new WUs!
Yummy, yummy!, now there's gonna be some real crunching made! :-)

I know this project is just in the test phase yet, but it would be very interesting to know if the work that has been made so far has led to any scientific results already?

Nice Friday and weekend!!!

//Gunnar

Hello! I just released a new version for Mac cmdock-boinc 1.2, it should work.

If you observe errors or undesirable effects in it, please report.

I am getting errors on macs:

Here is a sample:

https://fightcovid.boinc.ru/sidocktest/result.php?resultid=1003841

Stderr output
7.16.6

process exited with code 1 (0x1, -255)

17:30:57 (92669): wrapper (7.5.26013): starting
application $PWD/build/cmdock missing


]]>

Hi folks! Update: New application (CurieMarieDock) need a glibc version 2.27 or higher! As we see, most Linux computers meet these requirements.

Here is a small overview of the work done. :-)

Hi Natalia!

Thanks for the new WUs!
Yummy, yummy!, now there's gonna be some real crunching made! :-)

I know this project is just in the test phase yet, but it would be very interesting to know if the work that has been made so far has led to any scientific results already?

Nice Friday and weekend!!!

//Gunnar