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How do I convert my matlab file into .pdb or SMILES format?

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I have attached the *.mat file for reference. Any help will be appreciated.

Answers (1)

Aritra on 24 Nov 2022
Hi Anindya,
As per my understanding you are trying to convert MATLAB file to PDB file.You can read and write PDB files in MATLAB using “pdb2mat” and “mat2pdb” function.
The pdb2mat function takes a PDB file as input and generates a matlab-friendly data structure. The mat2pdb function creates PDB from coordinate data and represents all inputs as a structure field for it to be read.
You can refer to the following file exchange to know more about “mat2pdb” and “pdb2mat”:


Find more on Scripts in Help Center and File Exchange

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