Wrong default output name for Impact template and rotamer library
martimunicoy opened this issue · comments
Description
Impact templates and rotamer libraries are saved with the molecule's name instead of the tag.
Solution
Replace name by tag.
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
martimunicoy opened this issue · comments
Impact templates and rotamer libraries are saved with the molecule's name instead of the tag.
Replace name by tag.