Follow-up Comment #26, task #7404 (project relax): Generating two new functions '__parse_xyz_record()' and 'fill_object_from_xyz()' This is Han's patchhttps://gna.org/task/download.php?file_id=13252 attached to the task http://gna.org/task/?7404. Two new functions '__parse_xyz_record()' and 'fill_object_from_xyz()' were generated in the class 'MolContainer()' in the file 'generic_fns/structure/internal.py'. 'fill_object_from_xyz()' is a function for generating a complete Structure_container object from the given xyz records and '__parse_xyz_record()' for parsing the xyz record string and return an array of the corresponding atomic information. _______________________________________________________ Reply to this item at: <http://gna.org/task/?7404> _______________________________________________ Message sent via/by Gna! http://gna.org/