# -*- 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 = "cation_pi_hist_scOrbCpi_Hpol_by_angle",
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
FROM
HPOL_orbital
WHERE
((resName1 = 'TYR' OR resName1 = 'PHE' OR resName1 = 'TRP') AND (resName2 = 'ARG' OR resName2 = 'LYS'))
AND OrbHdist < 3;"
all_geom <- query_sample_sources(sample_sources, sele)
plot_id = "cation_pi_hist_AOH_scOrbPi_Hpol_all_residues"
ggplot(data=all_geom) +
geom_freqpoly(aes(x=AOH_angle, fill=sample_source, color = sample_source), density=0.1, binwidth=0.1) +
ggtitle("AOH Cation - Pi Measured Via Orb - Hpol \n",
"ScOrbCpi to Hpol TYR/PHE/TRP to LYS/ARG") +
scale_x_continuous(breaks=c(-1,-.9,-.8,-.7,-.6,-.5,-.4, -.3, -.2, -.1, 0, .1, .2, .3, .4, .5, .6, .7, .8), paste('Acceptor -- Orbital -- Hydrogen'))
scale_y_continuous("scOrbCpi scHpol Counts < 3.0 A from Orbital -- Hydrogen")
save_plots(self, plot_id, sample_sources, output_dir, output_formats)
plot_id = "cation_pi_hist_DHO_scOrbPi_Hpol_all_residues"
ggplot(data=all_geom) +
geom_freqpoly(aes(x=DHO_angle, fill=sample_source, color = sample_source), binwidth=0.1) +
ggtitle("DHO Cation - Pi Measured Via Orb - Hpol \n",
"ScOrbCpi to Hpol TYR/PHE/TRP to LYS/ARG") +
scale_x_continuous(breaks=c(-1,-.9,-.8,-.7,-.6,-.5,-.4, -.3, -.2, -.1, 0, .1, .2, .3, .4, .5, .6, .7, .8), paste('Donor -- Hydrogen -- Orbital'))
scale_y_continuous("scOrbCpi scHpol Counts < 3.0 A from Orbital -- Hydrogen")
save_plots(self, plot_id, sample_sources, output_dir, output_formats)
})) # end FeaturesAnalysis
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.