dimeng851/punch_linker_light repository overview

⁠LINKER-Pred-Lite

A high-speed Disordered Flexible Linker (DFL) predictor trained on DLD domain Linker dataset and Disprot⁠ Database.

⁠📝 Description

LINKER-Pred-Lite project belongs to a series of LINKER-Pred-Suite projects which focus on the Structure and Function prediction of Disordered Flexible Linkers (DFLs). Currently we have LINKER-Pred2⁠ for fast DFL prediction and LINKER-Pred2⁠ for more accurate DFL prediction. LINKER-Pred-Lite is trained on more than 2000 DFL linker datasets from our DLD⁠ dataset and Disprot⁠, its performance is better than TOP predictors on the CAID2 Linker dataset. There is no MSA searching needed for the prediction. Therefore, compared to LINKER-Pred2, the prediction may be slightly worse, but it only cost ~0.1 second for one prediction.

⁠🐣 Getting Started

⁠Pre-requirements

This predictor requires sequences embedded with ProtTrans⁠. Note,

• File format should be [SEQUENCE_NAME/ID].npy, replace SEQUENCE_NAME/ID with the actural sequence ID, it should be the same as the name from .fasta file.
• Matrix shape:
  ProtTrans: (1, SEQUENCE_LENGTH, 1024)

📣‼️If you don't have them available, please visit the embedding⁠ section of our project first to embed the sequences.‼️

(We maintain this separation due to the requirements from CAID3⁠, but we may edit or merge them in the future.)

⁠Docker (Recommend)

⁠Dependencies

• Go to embedding⁠ if you don't have ProtTrans⁠ embedded sequences;
• Docker Desktop 4.27.2 or higher;

⁠Installing

• Pull the Docker image from DockerHub⁠

  docker pull dimeng851/punch_linker_light:v4
  

  Copy

⁠Executing program

• RUN the following command:

  Replace
  CONTAINER_NAME - anyname you like;
  PATH_TO_INPUT_FASTA - path to input file, which is ONE FASTA file including all query sequences;
  PATH_TO_PROTTRANS - a folder which includes all protTrans embedded sequences;
  PATH_OUTPUT - a folder which will be used to save all outputs, including: a. timings.csv; b. disorder folder, where will keep all the prediction resulds.

  docker run -d \
  -it \
  --name [CONTAINER_NAME] \
  --mount type=bind,source=[PATH_TO_INPUT_FASTA],target=/punch_linker_light/data/input.fasta \
  --mount type=bind,source=[PATH_TO_PROTTRANS],target=/punch_linker_light/data/protTrans \
  --mount type=bind,source=[PATH_OUTPUT],target=/punch_linker_light/output \
  dimeng851/punch_linker_light:v4
  

  Copy

  An example:

  docker run -d \
  -it \
  --name punch_linker_light_con \
  --mount type=bind,source=/home/dimeng/caid3/test.fasta,target=/punch_linker_light/data/input.fasta \
  --mount type=bind,source=/home/dimeng/project/domain_linker/data/caid/features/protTrans,target=/punch_linker_light/data/protTrans \
  --mount type=bind,source=/home/dimeng/caid3/punch_linker_output,target=/punch_linker_light/output \
  dimeng851/punch_linker_light:v4
  

  Copy
• Find the results in OUTPUT folder.

⁠Contact & Help 📩

Email Di.

[email protected]

⁠Authors

📬 Di Meng - [email protected]⁠
📬 Juliana Glavina - [email protected]⁠
📬 Gianluca Pollastri - [email protected]⁠
📬 Lucía Beatriz Chemes - [email protected]⁠

⁠Project