kalininalab / alphafold_non_docker

AlphaFold2 non-docker setup
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run only 1 of the 5 models for AF v2.2.0 monomer via bash command-line? #44

Closed avilella closed 2 years ago

avilella commented 2 years ago

Hi,

We are running the bash run_alphafold.sh script in our non-docker installation via this repo (thanks for the efforts, if you leave us a name, address and t-shirt size, we will send you a t-shirt!).

Question: in the older version of the bash script, I was able to specify "model_1" for AF to run only 1 of the 5 models. Can I do the same in v2.2.0? What name is model_4? Thanks in advance.

sanjaysrikakulam commented 2 years ago

Hi @avilella

Thank you! Please leave me your email id and I will send you the details.

The model names feature was dropped in version 2.1.1. To change the number of models AF2 suggests editing the MODEL_PRESETS dictionary located under alphafold/model/config.py. Please refer to these threads for more information.

  1. https://github.com/deepmind/alphafold/issues/405
  2. https://github.com/deepmind/alphafold/issues/230

Hope this helps!

avilella commented 2 years ago

Excellent, thank you.

Email me to my username followed by gmail.com.

On Sat, May 28, 2022 at 6:37 AM Sanjay Kumar Srikakulam < @.***> wrote:

Hi @avilella https://github.com/avilella

Thank you! Please leave me your email id and I will send you the details.

The model names feature was dropped in version 2.1.1 https://github.com/kalininalab/alphafold_non_docker#api-changes-between-v200-and-v211. To change the number of models AF2 suggests editing the MODEL_PRESETS dictionary located under alphafold/model/config.py. Please refer to these threads for more information.

  1. deepmind/alphafold#405 https://github.com/deepmind/alphafold/issues/405
  2. deepmind/alphafold#230 https://github.com/deepmind/alphafold/issues/230

Hope this helps!

— Reply to this email directly, view it on GitHub https://github.com/kalininalab/alphafold_non_docker/issues/44#issuecomment-1140179142, or unsubscribe https://github.com/notifications/unsubscribe-auth/AABGSN5WXBXCG7W5VUEYOMLVMGWJVANCNFSM5W4PCJXQ . You are receiving this because you were mentioned.Message ID: @.***>

sanjaysrikakulam commented 2 years ago

Thank you! :-)