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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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Question has been reasked at biostars.org/post/show/42502/… –  bobthejoe Apr 12 '12 at 23:54

1 Answer 1

These two links go through the specifications required for the PDB format:

Link1: http://deposit.rcsb.org/adit/docs/pdb_atom_format.html

Link1 primarily goes through the specs. required if you say have a NMR file you would therefore require the MODEL statement. It also goes through other statements such as when to use TER and how each ATOM line should look etc...

Link2: http://www.wwpdb.org/documentation/format33/v3.3.html

Link2 goes through the other statements such as HEADER, REMARKS and TITLE

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