edtools.extract_xds_info

Functions:

cells_to_cellparm(ps)	Takes a list of xds_parser instances and writes the cell parameters to an instruction file CELLPARM.INP for the program cellparm.
cells_to_excel(ps[, fn])	Takes a list of xds_parser instances and writes the cell parameters to an excel file cells.xlsx.
cells_to_yaml(ps[, fn])
cells_to_yaml_xparm(uc[, fn])
evaluate_symmetry(ps)
gather_xds_ascii(ps[, min_completeness, ...])	Takes a list of xds_parser instances and gathers the corresponding XDS_ASCII.HKL files into the current directory.
lattice_to_space_group(lattice)
main()
parse_xparm_for_uc(fn)

Classes:

xds_parser(filename)

docstring for xds_parser

edtools.extract_xds_info.cells_to_cellparm(ps)

Takes a list of xds_parser instances and writes the cell parameters to an instruction file CELLPARM.INP for the program cellparm.

edtools.extract_xds_info.cells_to_excel(ps, fn='cells.xlsx')

Takes a list of xds_parser instances and writes the cell parameters to an excel file cells.xlsx.

edtools.extract_xds_info.cells_to_yaml(ps, fn='cells.yaml')

edtools.extract_xds_info.cells_to_yaml_xparm(uc, fn='cells_xparm.yaml')

edtools.extract_xds_info.evaluate_symmetry(ps)

edtools.extract_xds_info.gather_xds_ascii(ps, min_completeness=10.0, min_cchalf=90.0, gather=False)

Takes a list of xds_parser instances and gathers the corresponding XDS_ASCII.HKL files into the current directory. The data source and numbering scheme is summarized in the file filelist.txt.

edtools.extract_xds_info.lattice_to_space_group(lattice)

edtools.extract_xds_info.main()

edtools.extract_xds_info.parse_xparm_for_uc(fn)

class edtools.extract_xds_info.xds_parser(filename)

Bases: object

docstring for xds_parser

Methods:

__init__(filename)
cell_as_dict()
cell_info([sequence])
info_header([hline])
integration_info([sequence, outer_shell, ...])
parse()
print_filename()

Attributes:

space_group
unit_cell
volume

__init__(filename)

cell_as_dict()

cell_info(sequence=0)

static info_header(hline=True)

integration_info(sequence=0, outer_shell=True, filename=False)

parse()

print_filename()

property space_group

property unit_cell

property volume