Hi Cintli,

Starting version 2.1, Jana creates a Jana2020 subfolder in %APPDATA% and puts some files there. In rare cases, the Jana2020 subfolder cannot be created. Up to now, you are the third person to report such an issue, and we still do not fully understand the reason. However, here is what one of the other users did to solve the issue:

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The error occurred because of a folder mismatch in the tmp directory. When I was setting up this Windows laptop, I had to use an online Microsoft account to activate it. However, I changed to a local user account afterwards because the Microsoft account was only a “dummy” account. The problem now occurred because it was trying to use the AppData folder of the wrong user. Creating a Jana2020 in the tmp folder of this user has now solved the issue.
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I would appreciate it if you let me know if it helps in your case. 

Best wishes,

Michal

Dear Michal,

You are right I dont have the folder on APPDATA so i dont have any of the files that are supposed to go there, I  tried making this folder on the APPDATA/Roaming and on the tmp folder of the user and nothing.

Best

Cintli

Hello,

I have run into the same problem. How did you solve it?

Hello, 

It appears that placing temporary and ini files in ...\AppData\Roaming was not a good idea, as some users do not have this folder on their local computers. Therefore, we started using....\AppData\Local. The latest patch makes two things:

- For a user having the Jana2020 folder in ..\AppData\Roaming, it moves it to ....\AppData\Local
- For new users, it creates \AppData\Local\Jana2020

Please note that the Jana2020.exe is still located in the original installation folder (usually C:\Jana2020 or C:\Program Files\Jana2020).

To get the latest patch, please do the following steps (the usual way would be through Help in Jana2020, but you cannot start Jana2020)

Connect to https://jana.fzu.cz/repo/patch/files
password patchj2020

Download jana2020-patch.exe

Delete Jana2020.exe in the installation folder (usually c:\Jana2020 or c:\Program Files\Jana2020 )

Copy jana2020-patch to the installation folder

Rename it to Jana2020.exe

Run Jana2020

Please let me know if it works

Best wishes,
Michal

The reason for introducing the isotropic overall factor was to allow for joint refinement (X-ray + neutron) to correct the harmonic ADPs of one of the datasets. Then, this factor can be used for only one data set. Such a correction is far from ideal, but for most cases, it can help in solving specific problems, such as localizing hydrogen atoms in structures containing heavy atoms. However, some users realized that if they set this factor to some negative value and fix it, the problem with non-positive harmonic ADPs will be “solved”. For this reason, I recalculated this factor for individual atoms when using a single data set. However, I did not expect that this factor would be used in combination with the fixed command. Then it causes problems, as this does not allow recalculation of the fixed Uiso values. BTW, there is a more natural way to keep ADPs identical for a group or all atoms by using the “restrict” commands. It has existed in Jana programs from the very beginning and is described in the Jana98 manual. 
I think that the best approach would be to modify the program so that the overall isotropic ADP is not transformed into individual ADPs after refinement, but rather temporarily only when we test them for positivity and during preparation of the CIF output. I hope to make changes soon.
Best regards,
Vaclav

Instead of left-clicking on the download link, right-click on the link and 'save link as' to save the 'Jana2020Inst.msi'.

Best 

Naveen

Hello Hunter, 

I was not able to replicate the issue you reported. When I click, I receive a security warning, and then I can download the file without any problems. We were fixing some issues yesterday, so it is possible you encountered a glitch during that time. Please let me know if the problem persists. 

Best wishes, 

Michal

Hi, I can confirm that I cannot download 2.1 - I get a cryptic red "The version field is required" error, though I do not see a "version field" anywhere.
Best wishes,
Robert

Hi Robert, thank you for the bug report, it is now corrected.

Best wishes, 

Michal

HI Sofie, 

The example is in an unfinished state. This is a good impulse to finish it. Please have a look at the cookbook later on - I would estimate I can finish it within the next two weeks. I will also address your question regarding XD2024 files. Multipole refinement in Jana2020 is used by several users, so it should be an easy job. 

Best wishes, 

Michal

 Just additional information: The import from XD2024 has been tested, and it seems to be working correctly. However, as the way Jana2020 defines the local coordinate system is not entirely identical to XD2024, you should check it carefully. Please report if you have any problems.   

Hi Michal and Vaclav, 

Thank you for your quick response! Great to hear that the oxalic acid example will be available in the Jana2024 cookbook soon. That will be of a great help!

I cannot make the import from xd2024 work properly, unfortunately. It works before I start performing my xd refinements (on the files that emerges after solving the structure and then performing xdini2024), but not on my refined models. I have tried on some older xd projects as well (from xd2016 though) and experience the same issues. I either get a Fortran run time error (forrtl: severe (64): input conversion error, unit -5, File internal Formatted Read) or an "atom 0.0000 present only in parameter file" error. In the last case, it seems to not recognize the first atom name in the input file, and instead reads its first parameter as an atom name. 

I am currently trying to figure out why the conversion works only on the "simple" xd files before modelling etc.

Best, 

Sofie