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Nov 5, 2020 at 12:52 vote accept David
Nov 4, 2020 at 16:41 answer added Mr_Z timeline score: 5
Oct 31, 2020 at 18:35 comment added David @MatteoFerla Thanks. Will check that out.
Oct 31, 2020 at 17:48 comment added Matteo Ferla In which case, going from PDB to Uniprot using SIFTS https://www.ebi.ac.uk/pdbe/docs/sifts/quick.html is the best bet as the Uniprot entries will have all the synonyms you could have for.
Oct 31, 2020 at 16:11 answer added fra timeline score: 2
Oct 31, 2020 at 15:40 comment added David @marcin — Thanks, but the problem with the HEADER and COMPOUND fields is that they are such utter unparsable anarchy. I could write a script to get these fields from all my pdb files, but take for example 102L — I would get as HEADER "HYDROLASE(O-GLYCOSYL)" (useless) and as COMPOUND "HOW AMINO-ACID INSERTIONS ARE ALLOWED IN AN ALPHA-HELIX OF T4 LYSOZYME ENTEROBACTERIA PHAGE T4" where the name of the protein — Lysozyme — is buried. The prehistoric format of pdb files is the problem, but surely someone, somewhere has done something with them.
Oct 31, 2020 at 15:34 comment added David @Michael — Could you clarify please. A script tTo do what on what? And why in PyMol?
Oct 31, 2020 at 13:20 comment added marcin Perhaps you could use ftp.wwpdb.org/pub/pdb/derived_data/index/entries.idx which contains HEADER and COMPOUND fields extracted from all PDB entries.
Oct 31, 2020 at 13:08 comment added M__ Have you tried writing a PyMol script?
Oct 31, 2020 at 12:03 review First posts
Oct 31, 2020 at 13:08
Oct 31, 2020 at 12:01 history asked David CC BY-SA 4.0