Protein Data Bank entries by elements A little utility made while testing the GEMMI library. See: https://project-gemmi.github.io/periodic-table/ Author: Marcin Wojdyr Copyright 2017 Global Phasing Ltd License: Mozilla Public License 2.0 Update procedure ================ Update local copy of the mmCIF archive: REMOTE=rsync.ebi.ac.uk::pub/databases/pdb/data/structures/divided rsync -rlpt -v -z --delete $REMOTE/mmCIF/ /hdd/mmCIF When choosing examples we consult with the Top8000 list: wget https://raw.githubusercontent.com/rlabduke/reference_data/master/Top8000/Top8000-SFbest_hom50_pdb_chain_list.csv Go through the mmCIF archive and write down elements from each entry: ./make_elem_list.py /hdd/mmCIF/ > elems.txt Update data.js (the number is the limit for number of PDB codes per one element set): ./prepare_data_js.py elems.txt 15 > new-data.js mv new-data.js data.js Update "Last update:" in html.