calCo: Calculate Cartesian coordinates for 1-4 bonded atoms
In wongswk/compass: Conformational manipulations of protein atomic structures and sequences
Description
Usage
Arguments
Value
Description
Given coordinates for the first three atoms forming a dihedral,
the dihedral angle, bond angle, and bond length, calculate the coordinates
of the fourth atom forming the dihedral.
Usage
1
Arguments
prev_atoms
a 3x3 matrix of coordinates for atoms 1-2-3 in dihedral, listed by row
length
bond length between atoms 3-4 in dihedral
bAngle
planar bond angle between atoms 2-3-4
tAngle
dihedral angle formed by atoms 1-2-3-4
Value
Returns the vector of coordinates for the fourth atom in the dihedral
wongswk/compass documentation built on Jan. 9, 2022, 8:31 p.m.
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Description Usage Arguments Value
Description
Given coordinates for the first three atoms forming a dihedral, the dihedral angle, bond angle, and bond length, calculate the coordinates of the fourth atom forming the dihedral.
Usage
1 |
Arguments
prev_atoms |
a 3x3 matrix of coordinates for atoms 1-2-3 in dihedral, listed by row |
length |
bond length between atoms 3-4 in dihedral |
bAngle |
planar bond angle between atoms 2-3-4 |
tAngle |
dihedral angle formed by atoms 1-2-3-4 |
Value
Returns the vector of coordinates for the fourth atom in the dihedral
R Package Documentation
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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