kmeans_bb_dependent_rotlib.py File Reference

Namespaces
	kmeans_bb_dependent_rotlib

Functions
def	kmeans_bb_dependent_rotlib.load_centroid (fn, ncluster)
def	kmeans_bb_dependent_rotlib.pbc (bin)
def	kmeans_bb_dependent_rotlib.get_bb_bin_index (bb)
def	kmeans_bb_dependent_rotlib.show_bb_table (bbtable)
def	kmeans_bb_dependent_rotlib.get_prior (rot_bb_data, n)
def	kmeans_bb_dependent_rotlib.get_prior_svd (rot_bb_data, n)

Variables
float	kmeans_bb_dependent_rotlib.cutoff = 1.6
	kmeans_bb_dependent_rotlib.restype = sys.argv[1]
	kmeans_bb_dependent_rotlib.ncluster = int(sys.argv[2])
string	kmeans_bb_dependent_rotlib.inpfile = "./split/" + restype + ".dat"
	kmeans_bb_dependent_rotlib.inp = open(inpfile, 'r')
	kmeans_bb_dependent_rotlib.lines = inp.readlines()
list	kmeans_bb_dependent_rotlib.xyzlist = []
list	kmeans_bb_dependent_rotlib.bblist = []
	kmeans_bb_dependent_rotlib.dats = line.split()
	kmeans_bb_dependent_rotlib.dis = float(dats[0])
	kmeans_bb_dependent_rotlib.ang = float(dats[1])
	kmeans_bb_dependent_rotlib.dih = float(dats[2])
	kmeans_bb_dependent_rotlib.psi = float(dats[3])
	kmeans_bb_dependent_rotlib.phi = float(dats[4])
	kmeans_bb_dependent_rotlib.x = dis*sin(ang)*cos(dih)
	kmeans_bb_dependent_rotlib.y = dis*sin(ang)*sin(dih)
	kmeans_bb_dependent_rotlib.z = dis*cos(ang)
	kmeans_bb_dependent_rotlib.data = vstack(xyzlist)
	cluster, find the centroid More...
	kmeans_bb_dependent_rotlib.save_data = data
string	kmeans_bb_dependent_rotlib.fn = "ref/" + restype
def	kmeans_bb_dependent_rotlib.centroids = load_centroid(fn, ncluster)
	kmeans_bb_dependent_rotlib._
	kmeans_bb_dependent_rotlib.idx
	kmeans_bb_dependent_rotlib.dist
	kmeans_bb_dependent_rotlib.nd = len(data)
	kmeans_bb_dependent_rotlib.savend = nd
float	kmeans_bb_dependent_rotlib.K0 = 0.5
list	kmeans_bb_dependent_rotlib.center_int_lst = []
list	kmeans_bb_dependent_rotlib.rot_bb_data_lst = []
	kmeans_bb_dependent_rotlib.r = sqrt(x*x+y*y+z*z)
	kmeans_bb_dependent_rotlib.t = arccos(z/r)
	kmeans_bb_dependent_rotlib.p = arctan2(y,x)
	kmeans_bb_dependent_rotlib.flag = i
	kmeans_bb_dependent_rotlib.n = sum(flag)
	kmeans_bb_dependent_rotlib.rot_bb_data = np.zeros([36,36])
	kmeans_bb_dependent_rotlib.psi_bin
	kmeans_bb_dependent_rotlib.phi_bin
	kmeans_bb_dependent_rotlib.marginal_psi
	kmeans_bb_dependent_rotlib.marginal_phi
	kmeans_bb_dependent_rotlib.newN
int	kmeans_bb_dependent_rotlib.nrot = 0