esta.general.distance_conformation
¶
perturbed_structure(filename, delta_d=0.5)
¶
get perturbed str using distance-geometry method .. (stable calculation of coordinates from distance information; Acta. Cryst. 1978 A 34 282-284 )
.. todo::
how to specify the limits for the distance matrix is crucial. Here delta_d is used for setting
the distances between atoms .. a better way to modify the distances is needed!!