biotite.structure.io.read_structure_from_ctab¶

biotite.structure.io.read_structure_from_ctab(ctab_lines)[source]¶

Parse a MDL connection table (Ctab) to obtain an AtomArray. 1

Parameters

ctab_lineslines of str: The lines containing the ctab. Must begin with the counts line and end with the M END line

Returns

atomsAtomArray: This AtomArray contains the optional charge annotation and has an associated BondList.

References

1: A. Dalby, J. G. Nourse, W. D. Hounshell, A. K. I. Gushurst, D. L. Grier, B. A. Leland, J. Laufer, “Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited,” Journal of Chemical Information and Computer Sciences, vol. 32, pp. 244–255, May 1992. doi: 10.1021/ci00007a012