Published July 5, 2020 | Version 12/2/2020 Data Version v.2
Dataset Open

Sensible_Structures Data v.2

  • 1. Hauptman-Woodward Medical Research Institute
  • 2. University of Pittsburgh

Description

Data scrape of the PDB 12/9/2019 (v.1 used in Lynch, et al. Patterns 2020, https://doi.org/10.1016/j.patter.2020.100024)

Files:

v.1
structures.pkl: raw data file (n = 133,737)

sensible_structures.pkl/.xml/.csv: data files parsed through dictionary (n=99,229)

Updated data scrape of the PDB 12/2/2020 v.2

structures_Dec2020.pkl: raw data file (n = 144,656)

sensible_structures_Dec2020.pkl/.xml/.csv: data files parsed through dictionary (n=107,621)

Updated versions of data scrape using the code described in the paper will be provided as they occur, in versioned history.

 

Files

sensible_structures.csv

Files (1.1 GB)

Name Size Download all
md5:1f8a4a1a9fc4620fa3d0d7928ae6d1ac
96.7 MB Preview Download
md5:ace674b76aa88a47491a2febf367b372
101.7 MB Download
md5:28622c520126d0e1933cc5c1eea7580f
165.8 MB Preview Download
md5:f310c59837fc96cb435594499a8ad362
104.7 MB Preview Download
md5:3616a7888353a3ab8a45032049b2f232
118.0 MB Download
md5:59c8c116c06b520d4350c4906c28d805
179.6 MB Preview Download
md5:4779e812abc5a0a9f8458b5c9e42d088
141.6 MB Download
md5:1e5b00d881567e7515397beaef9cf328
164.1 MB Download

Additional details

Related works

Is documented by
Journal article: 10.1016/j.patter.2020.100024 (DOI)