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How should I parse the [TERTIARY] section of a ProteinNet record file?

Open rainwala opened this issue 5 years ago • 0 comments

Hi Mohammed,

this looks like an amazing resource, thank you. I want to write my own parser to play around with the data. However, I haven't been able to determine what exactly is represented on the three lines of each [TERTIARY] section.

Given that there are 3 lines, I have assumed that each line represents one co-ordinate axis (i.e. x, y, or z) for all residues. I then assumed that the order of the numbers on each line is given in order of the N, C_alpha, and C' atoms for each amino acid residue. Is my interpretation correct? Could you please help or point me to the exact file specification? I couldn't find it in your paper either.

Thank you! -Ali

rainwala avatar Oct 02 '19 15:10 rainwala