acpype.utils

Functions

checkOpenBabelVersion()	check openbabel version
cross_product(a, b)	cross product
distanceAA(c1, c2)	Distance between two atoms
dotproduct(aa, bb)	scalar product
elapsedTime(seconds[, add_s, separator])	Takes an amount of seconds and turns it into a human-readable amount of time.
find_bin(abin)
imprDihAngle(a, b, c, d)	calculate improper dihedral angle
job_pids_family(jpid)	INTERNAL: Return all job processes (PIDs)
length(v)	distance between 2 vectors
parmMerge(fdat1, fdat2[, frcmod])	merge two amber parm dat/frcmod files and save in /tmp
parseFrcmod(lista)	Parse FRCMOD file
set_for_pip(binaries)
splitBlock(dat)	split a amber parm dat file in blocks 0 = mass, 1 = extra + bond, 2 = angle, 3 = dihedral, 4 = improp, 5 = hbond 6 = equiv nbon, 7 = nbon, 8 = END, 9 = etc.
vec_sub(aa, bb)	vector A - B
while_replace(string)