edtools.extract_xds_infoο
Functions:
Takes a list of xds_parser instances and writes the cell parameters to an instruction file CELLPARM.INP for the program cellparm. |
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Takes a list of xds_parser instances and writes the cell parameters to an excel file cells.xlsx. |
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Takes a list of xds_parser instances and gathers the corresponding XDS_ASCII.HKL files into the current directory. |
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Classes:
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docstring for xds_parser |
- edtools.extract_xds_info.cells_to_cellparm(ps)ο
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')ο
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')ο
- edtools.extract_xds_info.cells_to_yaml_xparm(uc, fn='cells_xparm.yaml')ο
- edtools.extract_xds_info.evaluate_symmetry(ps)ο
- edtools.extract_xds_info.gather_xds_ascii(ps, min_completeness=10.0, min_cchalf=90.0, gather=False)ο
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)ο
- edtools.extract_xds_info.main()ο
- edtools.extract_xds_info.parse_xparm_for_uc(fn)ο
- class edtools.extract_xds_info.xds_parser(filename)ο
Bases:
object
docstring for xds_parser
Methods:
__init__
(filename)cell_info
([sequence])info_header
([hline])integration_info
([sequence,Β outer_shell,Β ...])parse
()Attributes:
- __init__(filename)ο
- cell_as_dict()ο
- cell_info(sequence=0)ο
- static info_header(hline=True)ο
- integration_info(sequence=0, outer_shell=True, filename=False)ο
- parse()ο
- print_filename()ο
- property space_groupο
- property unit_cellο
- property volumeο