mBuild 0.17.0
Features
- Add export to RDKIT to allow for chemdraw style visualization. by @chrisiacovella in #1137
- Add
check_box_size
option foradd
method inCompound.add()
by @daico007 in #1149 - Add new default option for
combining_rule
in Compound.save() by @daico007 in #1153 - Added ability to adjust bead_size by @jaclark5 in #1158
- Speed up json loader by @daico007 in #1163
Bug fixes
- fixed the tree print issue by @GuiLingfeng in #1155
Maintenance
- Fix Docker build by @daico007 in #1147
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1148, #1151, #1154, #1161, #1164, #1165
- Update deprecated syntax in CI.yml by @daico007 in #1160
New Contributors
- @GuiLingfeng made their first contribution in #1155
Full Changelog: 0.16.4...0.17.0