# -*- tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
# vi: set ts=2 noet:
#
# (c) Copyright Rosetta Commons Member Institutions.
# (c) This file is part of the Rosetta software suite and is made available under license.
# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
# (c) For more information, see http://www.rosettacommons.org. Questions about this can be
# (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.
library(ggplot2)
feature_analyses <- c(feature_analyses, methods::new("FeaturesAnalysis",
id = "cosBAH_hbacc_HXLAXL_hist",
author = "Matthew O'Meara",
brief_description = "",
feature_reporter_dependencies = c("HBondFeatures"),
run=function(self, sample_sources, output_dir, output_formats){
sele <-"
SELECT
geom.cosBAH,
acc_site.HBChemType AS acc_chem_type,
don_site.HBChemType AS don_chem_type
FROM
hbond_geom_coords AS geom,
hbonds AS hbond,
hbond_sites AS don_site,
hbond_sites AS acc_site
WHERE
(acc_site.HBChemType = 'hbacc_HXL' OR acc_site.HBChemType = 'hbacc_AHX') AND
hbond.struct_id = geom.struct_id AND
hbond.hbond_id = geom.hbond_id AND
hbond.struct_id = don_site.struct_id AND
hbond.don_id = don_site.site_id AND
hbond.struct_id = acc_site.struct_id AND
hbond.acc_id = acc_site.site_id;"
f <- query_sample_sources(sample_sources, sele)
plot_id = "cosBAHhist_hydroxyl_acc"
ggplot(data=f) +
geom_bar(aes(x=(pi-acos(cosBAH))*180/pi, fill=sample_source), position="dodge") +
ggtitle("BAH Angle for Hydrogen Bonds to SP3 Acceptors") +
scale_x_continuous(paste('Base -- Acceptor -- Hydrogen (degrees)'))
scale_y_continuous("Hydrogen Bond Counts")
save_plots(self, plot_id, sample_sources, output_dir, output_formats)
})) # end FeaturesAnalysis
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