genchallengedata.py

genchallengedata.py takes output from stage.3.blastnfilter and creates directory of challenge data.

This script should generate data that matches the structure defined here minus the following files which will be added by stage.4.challengedata stage code:

• readme.txt
• new_release_crystallization_pH.tsv
• new_release_structure_nonpolymer.tsv
• new_release_structure_sequence.tsv

Usage

usage: genchallengedata.py --candidatedir <path to stage.3.blastnfilter> \
                           --pdbdb <path to /data/pdb.extracted> \
                           --outdir <path to stage.4.challengedata/celpp_week#_####/>