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enhancementNew feature or requestNew feature or requestgood first issueGood for newcomersGood for newcomers
Description
The function:
IHMValidation/ihm_validation/mmcif_io.py
Lines 931 to 946 in 39a461a
| def get_atomic_coverage(self) -> str: | |
| """Measure amount of atomic residues""" | |
| for _ in self.system.orphan_representations: | |
| if self.check_sphere() == 1: | |
| flex = sum([(x.asym_unit.seq_id_range[1]) - | |
| (x.asym_unit.seq_id_range[0])+1 for x in _ if not x.rigid]) | |
| rigid = sum([(x.asym_unit.seq_id_range[1]) - | |
| (x.asym_unit.seq_id_range[0])+1 for x in _ if x.rigid]) | |
| if rigid > 0 or flex > 0: | |
| percentage = str(round(rigid/(rigid+flex)*100))+'%' | |
| else: | |
| percentage = '0%' | |
| else: | |
| percentage = '100%' | |
| return percentage |
requires improved logic and description.
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enhancementNew feature or requestNew feature or requestgood first issueGood for newcomersGood for newcomers