Describe the bug
When I want to introduce symmetry module into my json file, there are always some problems. I noticed that the hotspot and symmetry are in conflict. So I want to ask whether the parameters like select_exposed or buried and unindexed are in the range of hotspots.
To Reproduce
Please describe any:
Additional context
json file:
symmetry.json.txt
err file:
869663.txt
Describe the bug
When I want to introduce symmetry module into my json file, there are always some problems. I noticed that the hotspot and symmetry are in conflict. So I want to ask whether the parameters like select_exposed or buried and unindexed are in the range of hotspots.
To Reproduce
Please describe any:
column 9 (char 529)
Expected behavior
I will get protein structures with desired symmetry and ideal pocket to bury the small molecule.
Screenshots
I don't get valid output under symmetric condition.
But the following graph shows that the generated protein has a large percentage of disordered secondary structures.
Additional context
json file:
symmetry.json.txt
err file:
869663.txt