GitHub - demharters/git_scripts: Scripts for the processing of files related to mosaics

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Scripts for the processing of files related to mosaics

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Name		Name	Last commit message	Last commit date
Latest commit History 25 Commits
git_scripts		git_scripts
.addAtom.py.swp		.addAtom.py.swp
.auto_region.py.swp		.auto_region.py.swp
.calcTorsAngle.py.swp		.calcTorsAngle.py.swp
.dist_1mi5.py.swp		.dist_1mi5.py.swp
.gitignore		.gitignore
ABangle		ABangle
DSSPData.py		DSSPData.py
PAS_pdb_format.pl		PAS_pdb_format.pl
PDBUtils.py		PDBUtils.py
README		README
README_DNA		README_DNA
README_PROT		README_PROT
ReadData.py		ReadData.py
WaterInteractions.py		WaterInteractions.py
align_intrafit_HO.py		align_intrafit_HO.py
align_intrafit_OH.py		align_intrafit_OH.py
angle		angle
angle_betafloor_glob_mhcii.py		angle_betafloor_glob_mhcii.py
angle_betafloor_indiv_glob_mhcii.py		angle_betafloor_indiv_glob_mhcii.py
angle_dist_mhcii_glob.py		angle_dist_mhcii_glob.py
angle_glob_mhcii.py		angle_glob_mhcii.py
auto_region.py		auto_region.py
auto_region_mhc.py		auto_region_mhc.py
auto_region_mhci.py		auto_region_mhci.py
auto_region_mhcii_wp.py		auto_region_mhcii_wp.py
auto_test.py		auto_test.py
binning.py		binning.py
binning_rmsdEnergy.dat		binning_rmsdEnergy.dat
binning_three_cutoffs.py		binning_three_cutoffs.py
binning_two_cutoffs.py		binning_two_cutoffs.py
binning_two_files.py		binning_two_files.py
binning_two_files_two_columns.py		binning_two_files_two_columns.py
boom.py		boom.py
calcATED.py		calcATED.py
calcDistances_mhci.py		calcDistances_mhci.py
calcDistances_mhci.py2		calcDistances_mhci.py2
calc_avg_hel		calc_avg_hel
calc_elbow_ab_all.py		calc_elbow_ab_all.py
calc_elbow_tcr_all.py		calc_elbow_tcr_all.py
calc_elbow_tcr_single.py		calc_elbow_tcr_single.py
calc_elbow_traj_ab.py		calc_elbow_traj_ab.py
calc_elbow_traj_tcr.py		calc_elbow_traj_tcr.py
calc_movement_HO.py		calc_movement_HO.py
calc_movement_OH.py		calc_movement_OH.py
chothia_renumber.py		chothia_renumber.py
chothia_renumber2.py		chothia_renumber2.py
clean		clean
conect_mosaics.py		conect_mosaics.py
conect_mosaics.py_backup		conect_mosaics.py_backup
contacts_dna_4dnb.py		contacts_dna_4dnb.py
conv_Ha_kcal.py		conv_Ha_kcal.py
copyMosFiles.sh		copyMosFiles.sh
correct_3pt_pdb.pl		correct_3pt_pdb.pl
countWatersWithinX2.py		countWatersWithinX2.py
dist.pl		dist.pl
dist_1mi5.py		dist_1mi5.py
dist_1mi5_pair2_stsamc.py		dist_1mi5_pair2_stsamc.py
dist_1mi5_stsamc.py		dist_1mi5_stsamc.py
dist_1sjh.py		dist_1sjh.py
dist_1sjh_pair2.py		dist_1sjh_pair2.py
dist_1sjh_pair2_stsamc.py		dist_1sjh_pair2_stsamc.py
dist_1sjh_stsamc.py		dist_1sjh_stsamc.py
dist_4gbx.py		dist_4gbx.py
dist_4gbx_stsamc.py		dist_4gbx_stsamc.py
dist_DA10_DA5EPOR-cterm_extrapolated.py		dist_DA10_DA5EPOR-cterm_extrapolated.py
dist_DA10_EPOR-cterm.py		dist_DA10_EPOR-cterm.py
dist_DA10_EPOR-cterm_adjusted.py		dist_DA10_EPOR-cterm_adjusted.py
dist_DA10_EPOR-cterm_extrapolated.py		dist_DA10_EPOR-cterm_extrapolated.py
dist_DA10_bs.py		dist_DA10_bs.py
dist_DA10_linker.py		dist_DA10_linker.py
dist_DA330_EPOR-cterm.py		dist_DA330_EPOR-cterm.py
dist_DA5_EPOR-cterm.py		dist_DA5_EPOR-cterm.py
dist_chm.py		dist_chm.py
dist_dna_4dnb_fragment.py		dist_dna_4dnb_fragment.py
dist_dna_4dnb_fragment_hme.py		dist_dna_4dnb_fragment_hme.py
dist_dna_4dnb_fragment_hme1.py		dist_dna_4dnb_fragment_hme1.py
dist_dna_4dnb_fragment_hme2.py		dist_dna_4dnb_fragment_hme2.py
dist_dna_4dnb_pw.py		dist_dna_4dnb_pw.py
dist_dr_dm.py		dist_dr_dm.py
dist_mhci_kink.py		dist_mhci_kink.py
dist_mhcii.py		dist_mhcii.py
dist_mhcii_bg_glob.py		dist_mhcii_bg_glob.py
dist_mhcii_glob.py		dist_mhcii_glob.py
dist_mhcii_glob_bg.py		dist_mhcii_glob_bg.py
dist_mhcii_helices.py		dist_mhcii_helices.py
dist_mhcii_kink.py		dist_mhcii_kink.py
dist_pep123.py		dist_pep123.py
dist_pep_mhcii.py		dist_pep_mhcii.py
dist_rna_hme1.py		dist_rna_hme1.py
dist_rna_me1.py		dist_rna_me1.py
dist_rna_nomod1.py		dist_rna_nomod1.py
do_rmsd_energy		do_rmsd_energy
dotasks		dotasks
energy.dat		energy.dat
energy_vs_rmsd.pl		energy_vs_rmsd.pl
extractFrame.py		extractFrame.py
extractLastFrame.py		extractLastFrame.py
extract_3pt_pdb.pl		extract_3pt_pdb.pl
extract_segments		extract_segments

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A list of scripts related to computational structural biology, in particular Natural Move Monte Carlo simulations,
that I have written over the course of my PhD.