Network construction methods¶
Residue information extracted from trajectories |
Atom/angle tracked |
Package |
Correlation measurement |
Name in AlloViz |
|---|---|---|---|---|
Atoms’ displacements |
Whole residue |
MI (Mutual Information) |
dynetan |
|
Carbon β |
Pearson’s |
pytraj_CB |
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Carbon α |
pytraj_CA |
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Pearson’s |
MDTASK |
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Pearson’s
LMI (Linear MI)
|
correlationplus_CA_Pear
correlationplus_CA_LMI
|
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Dihedral angles |
Phi
Psi
All backbone dihedrals (Phi and psi)
Chi[1-4]
All side-chain dihedrals
All dihedrals
|
Pearson’s |
correlationplus_Phi, correlationplus_Psi
correlationplus_Backbone_Dihs
|
|
AlloViz |
MI with Local Non-uniformity Correction (LNC) |
AlloViz_Phi, AlloViz_Psi, AlloViz_Backbone_Dihs
AlloViz_Chi[1-4], AlloViz_Sidechain_Dihs
AlloViz_Dihs
|
||
MI, Pure-disorder MI, Disorder-mediated MI, Holistic MI |
CARDS_[MI, Pure_disorder_MI, Disorder_mediated_MI, Holistic_MI]_[Phi, Psi, Backbone_Dihs]
CARDS_[MI, Pure_disorder_MI, Disorder_mediated_MI, Holistic_MI]_Chi[1-4]
CARDS_[MI, Pure_disorder_MI, Disorder_mediated_MI, Holistic_MI]_[Sidechain_Dihs, Dihs]
|
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MI |
MDEntropy_Phi, MDEntropy_Psi
MDEntropy_Backbone_Dihs
|
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Alpha angle |
MDEntropy_AlphaAngle |
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Contacts |
MDEntropy_Contacts |
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Contacts occurrence |
GetContacts |
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PyInteraph2_Contacts |
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Atomic contacts occurrence
Atomic contacts strength
|
PyInteraph2_Atomic_Contacts_Occurrence
PyInteraph2_Atomic_Contacts_Strength
|
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Interaction energy |
PyInteraph2_Energy |
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