molsysmt.physchem package#

Submodules#

molsysmt.physchem.get_area_buried module#

molsysmt.physchem.get_area_buried.get_area_buried(molecular_system, element='group', selection='all', definition='rose', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_atomic_radius module#

molsysmt.physchem.get_atomic_radius.get_atomic_radius(molecular_system, element='atom', selection='all', definition='vdw', syntax='MolSysMT', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_buried_fraction module#

molsysmt.physchem.get_buried_fraction.get_buried_fraction(molecular_system, element='group', selection='all', definition='janin', syntax='MolSysMT', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_charge module#

molsysmt.physchem.get_charge.get_charge(molecular_system, element='group', selection='all', definition='physical_pH7', forcefield='AMBER14', water_model=None, syntax='MolSysMT', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_hydrophobicity module#

molsysmt.physchem.get_hydrophobicity.get_hydrophobicity(molecular_system, element='group', selection='all', definition='eisenberg', syntax='MolSysMT', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_mass module#

molsysmt.physchem.get_mass.get_mass(molecular_system, element='system', selection='all', syntax='MolSysMT', definition='physical', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_polarity module#

molsysmt.physchem.get_polarity.get_polarity(molecular_system, element='group', selection='all', syntax='MolSysMT', definition='grantham', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_sasa module#

molsysmt.physchem.get_sasa.get_sasa(molecular_system, element='atom', selection='all', structure_indices='all', syntax='MolSysMT', engine='MDTraj')[source]#: To be written soon…

molsysmt.physchem.get_surface_area module#

molsysmt.physchem.get_surface_area.get_surface_area(molecular_system, element='group', selection='all', syntax='MolSysMT', definition='collantes', skip_digestion=False)[source]#

molsysmt.physchem.get_transmembrane_tendency module#

molsysmt.physchem.get_transmembrane_tendency.get_transmembrane_tendency(molecular_system, element='group', selection='all', syntax='MolSysMT', definition='zhao', skip_digestion=False)[source]#: To be written soon…

molsysmt.physchem.get_volume module#

molsysmt.physchem.get_volume.get_volume(molecular_system, selection='all', syntax='MolSysMT', definition='grantham')[source]#: To be written soon…

Module contents#