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/ . / FindHBond / acceptorGeom.py
acceptor geometry testing functions
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Functions
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accGeneric
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accGeneric (
donor,
donorHyds,
acceptor,
r2,
minAngle,
)
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testPhiPsi
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testPhiPsi (
dp,
donorHyds,
ap,
bp,
phiPlane,
r2,
phi,
theta,
)
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testThetaTau
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testThetaTau (
dp,
donorHyds,
ap,
pp,
upsilonLow,
upsilonHigh,
theta,
)
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accPhiPsi
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accPhiPsi (
donor,
donorHyds,
acceptor,
bonded1,
bonded2,
r2,
phi,
theta,
)
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accSynAnti
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accSynAnti (
donor,
donorHyds,
acceptor,
synAtom,
planeAtom,
synR2,
synPhi,
synTheta,
antiR2,
antiPhi,
antiTheta,
)
planeAtom (in conjunction with acceptor, and with synAtom
defining the up direction) defines a plane. If donor is on
the same side as synAtom, use syn params, otherwise anti params.
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accThetaTau
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accThetaTau (
donor,
donorHyds,
acceptor,
upsilonPartner,
r2,
upsilonLow,
upsilonHigh,
theta,
)
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