mdc_fragments.py¶
Break a molecular topology into fragments using different heuristics.
usage: mdc_fragment_overview.py [-h] [-m METHODS [METHODS ...]] [--AAs AAS] topology
Positional Arguments¶
- topology
Topology file
Named Arguments¶
- -m, --methods
What methods to test. Default is all.
Default: [‘all’]
- --AAs
Print the idxs and labels of these AAs, e.g. R131,GLU30