potUtils |
index |
Helper utilities for Xplor-NIH energy terms
Functions
stripBracketedComments(string) - return a string with XPLOR-style
comments delimited by curly braces
({}) removed. This function does
not remove single-line comments
introduced by the (!) character.
eulerFromRotMat(rotMat) - returns alpha, beta, gamma Euler angles (in degrees)
from a rotation matrix in 3-dimensional space
specified as a mat3.Mat3.
rotMatFromEuler(alpha, - given alpha, beta, gamma Euler angles, return
beta, a mat3.Mat3 specifying the corresponding
gamma) rotation matrix in 3-dimensional space.
# This file was automatically generated by SWIG (http://www.swig.org).
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# Do not make changes to this file unless you know what you are doing--modify
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