Crystal Turtlebug

Batch program permitting generation of a file of (unit cells of) crystal nets from a file of inputs. For each set of input parameters (i.e. "fundamental transversal with point group and vector assignments) the program generates a crystal net. Thus given an input (TXT) text file of any number of fundamental transversals, it will produce an output (CGD) text file of the resulting crystal nets.

The algorithm applies point group symmetries to partial vertex figures of a fundamental transversal of a crystal net , and to the resulting images of those figures, to generate a unit cell of the net along with associated lattice vectors.

This is a very preliminary version (Version 0.8) and consequently both unfriendly and limited. It consists of several interlocking Python worksheets. Additional worksheets contain programs for producing input files; output is to be analyzed by Systre and TOPOS and other crystal analysis programs accepting CGD text files as input.