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def | __init__ (self) |
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def | set_structure (self, atomID=0, name="C", res="ARG", resID=0, occupancy=1.0, temperature=0.0, segID="A", element="C", charge="0", ffea_comment="") |
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def | reset (self) |
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◆ __init__()
def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.__init__ |
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self | ) |
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◆ reset()
def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset |
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self | ) |
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Referenced by ffeatools.modules.FFEA_skeleton.FFEA_skeleton.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb.__init__(), ffeatools.modules.FFEA_springs.FFEA_springs.__init__(), ffeatools.modules.FFEA_vdw.FFEA_vdw.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.__init__(), ffeatools.modules.FFEA_pin.FFEA_pin.__init__(), ffeatools.modules.FFEA_stokes.FFEA_stokes.__init__(), ffeatools.modules.FFEA_topology.FFEA_topology.__init__(), ffeatools.modules.FFEA_script.FFEA_script.__init__(), ffeatools.modules.FFEA_surface.FFEA_surface.__init__(), ffeatools.modules.FFEA_springs.FFEA_spring.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb_blob.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_traj_blob.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb_frame.__init__(), ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.__init__(), ffeatools.modules.FFEA_surface.FFEA_face.__init__(), ffeatools.modules.FFEA_topology.FFEA_element.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.build_from_pdb(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb.build_from_traj(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.load(), ffeatools.modules.FFEA_surface.FFEA_surface.load_face(), ffeatools.modules.FFEA_surface.FFEA_surface.load_vol(), and ffeatools.modules.FFEA_pin.FFEA_pin.pin_radially().
◆ set_structure()
def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.set_structure |
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self, |
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atomID = 0 , |
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name = "C" , |
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res = "ARG" , |
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resID = 0 , |
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occupancy = 1.0 , |
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temperature = 0.0 , |
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segID = "A" , |
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element = "C" , |
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charge = "0" , |
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ffea_comment = "" |
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) |
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◆ atomID
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.atomID |
◆ charge
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.charge |
◆ element
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.element |
Referenced by ffeatools.modules.FFEA_topology.FFEA_topology.add_element(), ffeatools.modules.FFEA_topology.FFEA_topology.calc_CoM(), ffeatools.modules.FFEA_topology.FFEA_topology.calc_mass(), ffeatools.modules.FFEA_topology.FFEA_topology.calculate_strain_energy(), ffeatools.modules.FFEA_topology.FFEA_topology.calculate_volume(), ffeatools.modules.FFEA_topology.FFEA_topology.calculateInterior(), ffeatools.modules.FFEA_topology.FFEA_topology.cull_interior(), ffeatools.modules.FFEA_topology.FFEA_topology.extract_surface(), ffeatools.modules.FFEA_topology.FFEA_topology.get_linear_nodes(), ffeatools.modules.FFEA_topology.FFEA_topology.get_num_elements(), ffeatools.modules.FFEA_topology.FFEA_topology.get_smallest_lengthscale(), ffeatools.modules.FFEA_topology.FFEA_topology.increase_order(), ffeatools.modules.FFEA_topology.FFEA_topology.index_switch(), ffeatools.modules.FFEA_topology.FFEA_topology.isElementInterior(), ffeatools.modules.FFEA_topology.FFEA_topology.load_vol(), ffeatools.modules.FFEA_topology.FFEA_topology.print_details(), ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset(), ffeatools.modules.FFEA_topology.FFEA_topology.reset(), ffeatools.modules.FFEA_topology.FFEA_topology.upgrade_element(), and ffeatools.modules.FFEA_topology.FFEA_topology.write_to_file().
◆ ffea_comment
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.ffea_comment |
◆ name
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.name |
◆ occupancy
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.occupancy |
◆ res
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.res |
◆ resID
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.resID |
◆ segID
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.segID |
◆ temperature
ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.temperature |
The documentation for this class was generated from the following file: