From 0ff9cc01fa8bfb36f4d03d1a36e727a1800954c5 Mon Sep 17 00:00:00 2001 From: Shane O'Connor Date: Tue, 7 Apr 2015 17:24:09 -0700 Subject: [PATCH] Editing input README to reflect new files. --- input/README.rst | 50 ++++-------------------------------------------- 1 file changed, 4 insertions(+), 46 deletions(-) diff --git a/input/README.rst b/input/README.rst index 4186fce..e8487a7 100644 --- a/input/README.rst +++ b/input/README.rst @@ -2,56 +2,14 @@ Input data ==================================== -Input data for this benchmark consists of 40 structures from the PDB. +The input data for this benchmark consists of 40 structures from the PDB, each of which represents a Pfam domain. The +mapping between the structures and Pfam domains can be found in JSON or CSV format in json/domains.json and csv/domains.csv +respectively. -These structures represent the following 40 domains from Pfam: - -PF00013 -PF00018 -PF00041 -PF00072 -PF00076 -PF00085 -PF00111 -PF00168 -PF00169 -PF00179 -PF00226 -PF00240 -PF00249 -PF00254 -PF00313 -PF00327 -PF00355 -PF00364 -PF00381 -PF00439 -PF00486 -PF00498 -PF00542 -PF00550 -PF00581 -PF00582 -PF00595 -PF00691 -PF00708 -PF01029 -PF01035 -PF01451 -PF01627 -PF01833 -PF02823 -PF04002 -PF07679 -PF07686 -PF08666 -PF12844 - -The selection of these Pfam domains and their structures is described in the following paper: +The selection of the Pfam domains and their structures is described in the following paper: Computational protein design quantifies structural constraints on amino acid covariation. 2013. Ollikainen N, Kortemme T. PLoS Comput Biol 9(11):e1003313. `doi: 10.1371/journal.pcbi.1003313 `_. Epub 2013 Nov 14. - This directory also includes two res files, one for repacking all positions (NATAA.res) and one for designing all positions (ALLAA.res).