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README.md

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@@ -63,13 +63,13 @@ And the the Uniref90 database download will take about 40 minutes to 70 minutes,
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### Parameter Description of the CDPred prediction script.
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**Command**:
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`python CDPred_Installation_Path/lib/Model_predict.py -n [name] -p [pdb_file_list] -a [a3m_file] -m [model_option] -o [out_path]`
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>`python CDPred_Installation_Path/lib/Model_predict.py -n [name] -p [pdb_file_list] -a [a3m_file] -m [model_option] -o [out_path]`
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**Parameters**:
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`-n` – The name of the protein complex, can be protein ID or custom name.
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`-p` – The predicted monomer tertiary structure file or files with ".pdb" suffix. For homodimer inter-chain distance prediction, one predicted monomer structure file is enough. For heterodimer inter-chain distance prediction, both chains' predicted monomer structure files are required and needed to seperate by one space (Check the detail in [Demo](#demo) section).
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`-a` – Multiple sequence alignment (MSA) file in ".a3m" format. You can use your own or any third-party tool to generate MSA file, or you can follow the instruction in [ZComplexMSA](https://github.com/BioinfoMachineLearning/CDPred/tree/main/external_tool/ZComplexMSA) to install our custom MSA generation tool (Require large disk space and long time for dataset downloading).
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`-m` – Model option for different type prediction. Use "homodimer" for homodimer inter-chain distance prediction. Use "heterodimer" for heterodimer inter-chain distance prediction.
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`-o` – The custom output folder. It will be automaticly created if not exist.
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>`-n` – The name of the protein complex, can be protein ID or custom name.
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>`-p` – The predicted monomer tertiary structure file or files with ".pdb" suffix. For homodimer inter-chain distance prediction, one predicted monomer structure file is enough. For heterodimer inter-chain distance prediction, both chains' predicted monomer structure files are required and needed to seperate by one space (Check the detail in [Demo](#demo) section).
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>`-a` – Multiple sequence alignment (MSA) file in ".a3m" format. You can use your own or any third-party tool to generate MSA file, or you can follow the instruction in [ZComplexMSA](https://github.com/BioinfoMachineLearning/CDPred/tree/main/external_tool/ZComplexMSA) to install our custom MSA generation tool (Require large disk space and long time for dataset downloading).
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>`-m` – Model option for different type prediction. Use "homodimer" for homodimer inter-chain distance prediction. Use "heterodimer" for heterodimer inter-chain distance prediction.
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>`-o` – The custom output folder. It will be automaticly created if not exist.
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## Demo
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### Examples to make predictions on prepared input data
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## Evaluation on a Small Dataset
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**Command**:
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`python CDPred_Installation_Path/lib/distmap_evaluate.py -p [pred_map] -t [true_map] -f1 [fasta_file1] -f2 [fasta_file2]`
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>`python CDPred_Installation_Path/lib/distmap_evaluate.py -p [pred_map] -t [true_map] -f1 [fasta_file1] -f2 [fasta_file2]`
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**Parameters**:
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`-p` – The prediction contact map with '.htxt' suffix.
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`-t` – The nativate distance/contact map with '.htxt' suffix.
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`-f1` – The fasta sequence file of chain 1 of dimer.
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`-f2` – The fasta sequence file of chain 2 of dimer.
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>`-p` – The prediction contact map with '.htxt' suffix.
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>`-t` – The nativate distance/contact map with '.htxt' suffix.
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>`-f1` – The fasta sequence file of chain 1 of dimer.
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>`-f2` – The fasta sequence file of chain 2 of dimer.
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Demo1: Evaluate the homodimer target.
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