Protein_struct_traj_analysis

Personal library for analyzing protein structures and trajectories produced from MD or MC simulations.

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
FAST.py		FAST.py
FAST_RMSD.py		FAST_RMSD.py
FAST_energy.py		FAST_energy.py
MJ2-1996.matrix		MJ2-1996.matrix
PDB-to-CenterOfMass.py		PDB-to-CenterOfMass.py
PDB-to-Contact.py		PDB-to-Contact.py
PDB-to-Contact_blame.py		PDB-to-Contact_blame.py
PDB-to-RMSD.py		PDB-to-RMSD.py
PDB-to-RMSD.py.bk		PDB-to-RMSD.py.bk
PDB-to-RMSD_quick.py		PDB-to-RMSD_quick.py
PDB-to-Rg.py		PDB-to-Rg.py
PDB-to-cluster_analysis.py		PDB-to-cluster_analysis.py
PDB-to-contact_map.py		PDB-to-contact_map.py
PDB-to-cumul_corr_cos.py		PDB-to-cumul_corr_cos.py
PDB-to-phipsi.py		PDB-to-phipsi.py
PDB-to-restraint_grps.py		PDB-to-restraint_grps.py
PDB-to-ss.py		PDB-to-ss.py
README.md		README.md
TMHs_residues_in_cavity.py		TMHs_residues_in_cavity.py
Traj-to-cluster.py		Traj-to-cluster.py
Traj-to-cluster_pdbfile.py		Traj-to-cluster_pdbfile.py
Traj-to-contact.py		Traj-to-contact.py
Traj-to-contact.py.bk		Traj-to-contact.py.bk
Traj-to-contact_read-pairs.py		Traj-to-contact_read-pairs.py
Traj-to-res_pos.py		Traj-to-res_pos.py
Traj_featurize.py		Traj_featurize.py
VTF-to-PDB.py		VTF-to-PDB.py
add_CAH.py		add_CAH.py
add_NH.py		add_NH.py
calc_Q.py		calc_Q.py
calc_RMSD_Q_potential.py		calc_RMSD_Q_potential.py
calc_chain_breaks.py		calc_chain_breaks.py
catenate_simplified_h5.py		catenate_simplified_h5.py
cluster.py		cluster.py
compare_ss.py		compare_ss.py
diff_distance_matrix.py		diff_distance_matrix.py
distance_matrix.py		distance_matrix.py
extract_potential_hbond_Rg_from_h5.py		extract_potential_hbond_Rg_from_h5.py
extract_sel_from_pdb.py		extract_sel_from_pdb.py
extract_vtf_LEP.py		extract_vtf_LEP.py
generate_restraint_strings.py		generate_restraint_strings.py
generate_z_wall.py		generate_z_wall.py
get_UNHs_UCOs.py		get_UNHs_UCOs.py
get_environ_cov.py		get_environ_cov.py
get_native_contact_number.py		get_native_contact_number.py
lowest_numbers_from_array.py		lowest_numbers_from_array.py
make_inverse_fasta.py		make_inverse_fasta.py
make_swapset.py		make_swapset.py
make_temperatureset.py		make_temperatureset.py
make_z_flat_bottom_wall.py		make_z_flat_bottom_wall.py
mdtraj_hbond_WZ.py		mdtraj_hbond_WZ.py
membrane-surface_generator.py		membrane-surface_generator.py
membrane_protein_CB_dssp.py		membrane_protein_CB_dssp.py
membrane_protein_H-bonds_identification.py		membrane_protein_H-bonds_identification.py
membrane_protein_structural_properties_per_residue.py		membrane_protein_structural_properties_per_residue.py
modeller_make_alpha-helix.py		modeller_make_alpha-helix.py
morph_rigid_module_to_upside_restraint_group_config.py		morph_rigid_module_to_upside_restraint_group_config.py
plot_FAST_RMSD.py		plot_FAST_RMSD.py
plot_contact_number.py		plot_contact_number.py
plot_contour.py		plot_contour.py
plot_lines.py		plot_lines.py
potential_22type_to_80type.py		potential_22type_to_80type.py
protein_info.py		protein_info.py
protein_info_from_residue_properties.py		protein_info_from_residue_properties.py
remove_redundant_atoms_in_pdb.py		remove_redundant_atoms_in_pdb.py
requirement		requirement
save_aligned_model.py		save_aligned_model.py
save_chain_in_mempot_field.py		save_chain_in_mempot_field.py
secseq_chainbreak_2_restraint.py		secseq_chainbreak_2_restraint.py
simplify_h5.py		simplify_h5.py
structural_diff.py		structural_diff.py
traj-to-consensus-LRF.py		traj-to-consensus-LRF.py
transition_count_matrix.py		transition_count_matrix.py
upside_REx_temperature.py		upside_REx_temperature.py
upside_config.py		upside_config.py
valid_hbond_from_hbond_h5.py		valid_hbond_from_hbond_h5.py

chemlove/Protein_struct_traj_analysis

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