juliette1996

Failed to employ polyatomic core anchors

4

Hello there, I'm trying to use the new option `core.optional.allignment = "anchor" ` but it's apparently failing with this error message: ``` Traceback (most recent call last): File "C:\Users\jzito\Miniconda3\envs\escience\Scripts\init_cat-script.py", line...

Error in writing xyz files of ligands associated to long SMILES OSError: [Errno 36] File name too long: '/scratch-shared/hpc17nj02a/geo_opt/10/ligand/C[C@@H]1O[C@H][OC[=O][C@]23CCC[C][C]CC2C2=CCC4[C@@]5[C]C[C@H][O][C@H][O[C@@H]6O[C@H][CO][C@@H][O][C@H][O][C@H]6O][C@@][C][C[=O]O][C@@H]5CC[C@@]4[C][C@]2[CO]CC3][C@@H][O[C@H]2O[C@H][C][C@@H][O[C@@H]3OC[C@@H][O[C@@H]4OC[C@][O][CO][C@H]4O][C@H][O][C@H]3O[C@H]3O[C@@H][CO][C@@H][O][C@@H][O][C@@H]3O][C@H][O][C@@H]2O][C@H][O][C@@H][email protected]'