`airsspy.cli.cmd_convert`#

CLI command for converting between RES and extxyz formats.

Module Contents#

Convert between packed RES and extxyz formats.

airsspy.cli.cmd_convert.convert(input_path, output_path, label)#

Convert between packed RES and extxyz formats.

Bulk conversion (all structures): ap convert packed.res output.xyz # .res → extxyz ap convert input.xyz output_dir/ # extxyz → unpacked .res files

Extract a single structure by label: ap convert -l Si-002 packed.res Si-002.res ap convert -l Si-001 input.xyz Si-001.res