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reuter-group / webnma3

Fast normal mode calculation and analyses for protein structures
http://apps.cbu.uib.no/webnma3/
GNU General Public License v3.0
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waiting for solutions #11

Open Clarisa2024 opened 7 months ago

Clarisa2024 commented 7 months ago

Hello I need you help because yesterday i run three project am I still waiting the result. Could you help me?how long could them take?I am registered as: clarisae.alvarez@gmail.com Please I would like to see this results Regards,

phillippesamer commented 7 months ago

Dear Clarisa,

We are really sorry about this delay. We are working to understand what is causing the issue, and trying to get WebNMA up and running as soon as we can. Sorry that we are a bit slow, as we are in the middle of a (1-person) team transition.

Meanwhile, I was hoping that you could use our code from github as it is, and run the exact same software on your computer. I wrote below the steps that we expect the user to follow... For the time being, could you please try that instead?

--

  1. [Optional] If you are not using mamba instead of conda, I recommend at least the following for much faster conflict-resolution and environment setup in conda. Just run conda install -n base conda-libmamba-solver conda config --set solver libmamba

  2. Download the repository, e.g. using git clone https://github.com/reuter-group/webnma3.git

  3. Navigate to the new directory that is created, and enter conda env create --file environment.yml

  4. Still on that terminal window, activate the new environment and setup webnma: conda activate webnma3-env python setup.py install

Done! Use the --help flag to get a usage example for each command, e.g. webnma ca --help

--

Kind regards, Phillippe

Clarisa2024 commented 7 months ago

Dejar Philip. Thanos for tour answer. Is ir possibly to instalo it in Windows?

El jue., 7 de marzo de 2024 8:52 a. m., Phillippe Samer < @.***> escribió:

Dear Clarisa,

We are really sorry about this delay. We are working to understand what is causing the issue, and trying to get WebNMA up and running as soon as we can. Sorry that we are a bit slow, as we are in the middle of a (1-person) team transition.

Meanwhile, I was hoping that you could use our code from github as it is, and run the exact same software on your computer. I wrote below the steps that we expect the user to follow... For the time being, could you please try that instead?

--

  1. [Optional] If you are not using mamba instead of conda, I recommend at least the following for much faster conflict-resolution and environment setup in conda. Just run

conda install -n base conda-libmamba-solver conda config --set solver libmamba

1.

Download the repository, e.g. using git clone https://github.com/reuter-group/webnma3.git 2.

Navigate to the new directory that is created, and enter conda env create --file environment.yml 3.

Still on that terminal window, activate the new environment and setup webnma:

conda activate webnma3-env python setup.py install

Done! Use the --help flag to get a usage example for each command, e.g. webnma ca --help

--

Kind regards, Phillippe

— Reply to this email directly, view it on GitHub https://github.com/reuter-group/webnma3/issues/11#issuecomment-1983349417, or unsubscribe https://github.com/notifications/unsubscribe-auth/BGYK425RXXKJ47XAU3HRH2DYXBIINAVCNFSM6AAAAABEKYKXZ2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSOBTGM2DSNBRG4 . You are receiving this because you authored the thread.Message ID: @.***>

phillippesamer commented 7 months ago

Dear Clarisa, From an early stage it was not possible to run it on Windows because of a dependency (MUSTANG) which was only available on unix-like operating systems. You are welcome to try it now, but I am unfortunately not able to confirm it. Best, Phillippe

Clarisa2024 commented 7 months ago

Ok. I dos not understand. What hoy think i could try? Te web one ir the Windows?

El jue., 7 de marzo de 2024 9:03 a. m., Phillippe Samer < @.***> escribió:

Dear Clarisa, From an early stage it was not possible to run it on Windows because of a dependency (MUSTANG) which was only available on unix-like operating systems. You are welcome to try it now, but I am unfortunately not able to confirm it. Best, Phillippe

— Reply to this email directly, view it on GitHub https://github.com/reuter-group/webnma3/issues/11#issuecomment-1983366980, or unsubscribe https://github.com/notifications/unsubscribe-auth/BGYK422JARLRQX274ZMYVX3YXBJQLAVCNFSM6AAAAABEKYKXZ2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSOBTGM3DMOJYGA . You are receiving this because you authored the thread.Message ID: @.***>

phillippesamer commented 7 months ago

I mean we really do not support the python version (that you may run on your machine) on Windows because of that dependency. Still it might be possible to make it work on Windows, only that we cannot test/support it, OK?

Clarisa2024 commented 7 months ago

Yes!i do have linux in half of my disk, however, i am not used to install programs. I hope I managed. Maybe you can help me? BEsides, do you know when you are going to solve the web program problem?

https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail Libre de virus.www.avast.com https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>

El jue, 7 mar 2024 a las 16:12, Phillippe Samer @.***>) escribió:

I mean we really do not support the python version (that you may run on your machine) on Windows because of that dependency. Still it might be possible to make it work on Windows, only that we cannot test/support it, OK?

— Reply to this email directly, view it on GitHub https://github.com/reuter-group/webnma3/issues/11#issuecomment-1984247568, or unsubscribe https://github.com/notifications/unsubscribe-auth/BGYK424WNZ4J3QGFSY3EEIDYXC33TAVCNFSM6AAAAABEKYKXZ2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSOBUGI2DONJWHA . You are receiving this because you authored the thread.Message ID: @.***>

phillippesamer commented 7 months ago

Hi Clarissa.

  1. I think it might be too long to give instructions to your one particular case like this here, but I can try to help (still, you would need to do some search in the web or, even better, getting help from someone...!). The easiest would be to install the conda infrastructure from here and follow their installation instructions. Check the first part here also. When that is done, you follow our own instructions here to get webnma running on your machine.

  2. No, I'm afraid we cannot give a schedule to fix the problem because we don't know what happened, and there is only 1 person to work on this (between many, many other tasks).

Best regards, Phillippe