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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
 
 

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Protein_struct_traj_analysis

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

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

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