schrodinger.trajectory.pbc_manager module¶
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class
schrodinger.trajectory.pbc_manager.
PBCMeasureMananger
(frame)¶ Bases:
object
A class to measure distance, angle, dihedral and planar angle under periodic boundary conditions.
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__init__
(frame)¶ Parameters: frame (_DesmondFrame instance) – The trajectory frame on which the measurement will be performed.
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calcDistance
(pos1, pos2)¶
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calcAngle
(pos1, pos2, pos3)¶
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calcDihedral
(pos1, pos2, pos3, pos4)¶
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calcPlanarAngle
(pos1, pos2, pos3, pos4, pos5, pos6, minangle=False)¶
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