Man page - codxyz2fract(1)
Packages contas this manual
- cif2qg(1)
- cif2csv(1)
- cif2cod(1)
- msg_parse(1)
- cif_overlay(1)
- cif_merge(1)
- cif_fillcell(1)
- cifvalues(1)
- cif_cod_numbers(1)
- cif_adjust_journal_name_volume(1)
- codxyz2ortho(1)
- syminv(1)
- cif_bounding_box(1)
- cif_distances(1)
- cif2xyz(1)
- cod_fetch(1)
- cif2rdf(1)
- cif_mpod_v1_to_v3(1)
- cif-to-utf8(1)
- cif_filter(1)
- cif_find_duplicates(1)
- cif_dictionary_tags(1)
- cif_mpod_v3_to_v1(1)
- symops(1)
- oqmd2cif(1)
- ssg_symop_matrices(1)
- cif_molecule(1)
- ssg_symop_check(1)
- cif_cod_check(1)
- cif2json(1)
- cif_values(1)
- cif_reduce_cell(1)
- json2cif(1)
- cif_ddlm_dic_print(1)
- utf8-to-cif(1)
- ddl1-to-ddlm(1)
- cif_mpod_v1_to_v2(1)
- cod-tools-version(1)
- cif_mpod_v2_to_v1(1)
- cif_polymer_multiplicity(1)
- cif_reformat_pubmed_author_names(1)
- symop_build_spacegroup(1)
- cif_cod_deposit(1)
- cif_mark_disorder(1)
- ssg3d(1)
- cif_symop_apply(1)
- cif_set_value(1)
- cif_split(1)
- cif_validate(1)
- cif_split_primitive(1)
- cif_ddlm_dic_check(1)
- spacegroup_properties(1)
- symmul(1)
- cif_eval_numbers(1)
- cif_tcod_tree(1)
- formula_sum(1)
- codcif2sdf(1)
- cosets(1)
- cif2ref(1)
- cif_list_tags(1)
- sdf_add_cod_data(1)
- cif_tags_in_list(1)
- cif_hkl_check(1)
- cif_automorphism(1)
- cif_p1(1)
- dic2markdown(1)
- ssg_symop_string(1)
- cif_diff(1)
- cif_classify(1)
- cif_select(1)
- cif_correct_tags(1)
- cif_compare_dics(1)
- ssg_symop_canonical(1)
- cif_ddl1_dic_check(1)
- find_numbers(1)
- cifparse(1)
- ddlm_validate(1)
- molcif2sdf(1)
- codxyz2fract(1)
- cif_reformat_uppercase_author_names(1)
- cod_manage_related(1)
- cif_sort_atoms(1)
- cif2tsv(1)
- cif_find_symmetry(1)
- cif_parse(1)
- cod2rdf(1)
- cif_cell_contents(1)
- cif_fix_values(1)
- fetch_cif_dict(1)
apt-get install cod-tools
Manual
| CODXYZ2FRACT(1) | General Commands Manual | CODXYZ2FRACT(1) |
NAME
codxyz2fract - take an XYZ format [1] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters. [1] https://en.wikipedia.org/wiki/XYZ_file_format
SYNOPSIS
codxyz2fract --options inputs*.xyz
codxyz2fract --options < inp.xyz
DESCRIPTION
Take an XYZ format [1] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters.
[1] https://en.wikipedia.org/wiki/XYZ_file_format
OPTIONS
-c, --cell "10 10 10 90 90 90"
Specify unit cell for conversion.
-l, --lattice "0.1 0 0 0 0.2 0 0 0 0.15"
Specify unit cell vectors in ortho frame for conversion.
-f, --float-format "%21.14e"
Specify format for floating point output.
For Perl, a usual "printf" format can be given.
-H, --human-readable
Use format "%12.6f" for better human readability.
-M, --machine-readable
Use format "%21.14e" to maintain precision. Default.
--help, --usage
Output a short usage message (this message) and exit.
--version
Output version information and exit.
REPORTING BUGS
Report codxyz2fract bugs using e-mail: cod-bugs@ibt.lt