I changed the max_mol_size from 11 to 50 angstrom to accommodate larger molecule for our test cases. And also increase the molecule graph size from (100, 100) to (200, 200) to get better resolution. So far there is no bad effect yet while if more test cases yield a bad layout, we could discuss here.
davidlmobley
commented
7 years ago
I changed the max_mol_size from 11 to 50 angstrom to accommodate larger molecule for our test cases. And also increase the molecule graph size from (100, 100) to (200, 200) to get better resolution. So far there is no bad effect yet while if more test cases yield a bad layout, we could discuss here.