# -*- 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 = "salt_bridge_heatmap_scOrbOsp2_Hpol_by_angle_dist",
author = "Matthew O'Meara, Steven Combs",
brief_description = "",
feature_reporter_dependencies = c("OrbitalFeatures"),
run=function(self, sample_sources, output_dir, output_formats){
sele <- "
SELECT
resNum1,
resName1,
resNum2,
resName2,
OrbHdist,
AOH_angle,
DHO_angle,
htype2
FROM
HPOL_orbital
WHERE
(((resName1 = 'ARG' OR resName1 = 'LYS' OR resName1 = 'HIS') AND (resName2 = 'ASP' OR resName2 = 'GLU')) OR
((resName1 = 'GLU' OR resName1 = 'ASP') AND (resName2 = 'ARG' OR resName2 = 'LYS' OR resName2 = 'HIS')))
AND OrbHdist < 4 AND orbName1 = 'O.p.sp2' AND htype2 = 'Hpol';"
f <- query_sample_sources(sample_sources, sele)
plot_id = "salt_bridge_stat_bin2d_heatmap_AOH_scOrbOsp2_Hpol_all_residues"
ggplot(f, aes(x=AOH_angle, y=OrbHdist)) +
stat_bin2d(aes(x=AOH_angle, y=OrbHdist, fill=..count..), binwidth = c(0.1, 0.5), xlim =c(-1, 0), ylim = c(0, 3)) +
scale_fill_gradient(low = "white", high = "steelblue") +
scale_x_discrete(paste('Acceptor -- Orbital -- Hydrogen')) +
scale_y_discrete(paste('scOrbOsp2 scHpol Counts < 3.0 A from Orbital -- Hydrogen'))
save_plots(self, plot_id, sample_sources, output_dir, output_formats)
plot_id = "salt_bridge_stat_density2d_heatmap_AOH_scOrbOsp2_Hpol_all_residues"
ggplot(f, aes(x=AOH_angle, y=OrbHdist)) + stat_density2d(aes(x=AOH_angle, y=OrbHdist, fill = ..density..), geom="raster", contour=F, binwidth = c(0.1, 0.5), xlim =c(-1, 0), ylim = c(0, 3)) +
scale_fill_gradient(low = "white", high = "steelblue") +
scale_x_discrete(paste('Acceptor -- Orbital -- Hydrogen')) +
scale_y_discrete(paste('scOrbOsp2 scHpol Counts < 3.0 A from Orbital -- Hydrogen'))
save_plots(self, plot_id, sample_sources, output_dir, output_formats)
})) # end FeaturesAnalysis
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