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

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

Answer 1

[Aritra]

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”: https://in.mathworks.com/matlabcentral/fileexchange/42957-read-and-write-pdb-files-using-matlab