Sunday, 11 January 2015

bioinformatics - How do I prepare a PDB for submission to the Protein Data Bank?

I have a couple structures that are nearly ready to be deposited in the PDB. Out of curiosity, I ran them through the ADIT's precheck tool and they failed with one error after another, as I lacked all sorts of additional records (TER, SEQRES, HETNAM, etc.) that my refinement and modelling tools don't seem to care about.



From what I understand/guess, the online submission tool will help fill in all the metadata (REMARKs, etc.), but how do I turn my coordinates into something acceptable?

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