Releases: ChemBioHTP/EnzyHTP
Releases · ChemBioHTP/EnzyHTP
EnzyHTP with install tools fix
EnzyHTP with install tools fix. Pack for conda cloud dist.
development release of EnzyHTP 2.0 for test
Merge pull request #169 from ChemBioHTP/shaoqz/feature_multefdes_2 2nd PR for MultiMutDes-EF
enzy_htp_beta_3
Release the most current version of EnzyHTP with the architecture before the refactoring.
enzy_htp_beta
What's Changed
- Feature leap pdb by @shaoqx in #5
- Develop qz by @shaoqx in #16
- Minor PR for HTP constraint MD by @shaoqx in #18
- Start use the git flow of the HTPdev Subgroup by @shaoqx in #21
- update master before start using the new workflow by @shaoqx in #22
- Develop paul by @KleinesMesser in #24
- Update Class_Conf.py by @KleinesMesser in #25
- Shaoqz/test add mutaflag by @shaoqx in #31
- Reecan/readme update by @so-dopamine in #29
- Fix Docstring for Add_MutaFlag by @mtremblay0817 in #33
- Shaoqz/fix combine add muta flag doc string by @shaoqx in #38
- Chrisjurich/feature new structure class by @chrisjurich in #49
- Chrisjurich/feature new mutation submodule by @chrisjurich in #64
- Shaoqz/refactor review structure module by @shaoqx in #66
- Shaoqz/refactor structure clean up by @shaoqx in #74
- Bugfix: raise a bug of PDB w/o chain id & w/ANISOU by @shaoqx in #76
- Shaoqz/refactor structure attr mod by @shaoqx in #75
- Shaoqz/refactor structure pdb io by @shaoqx in #82
- Update: EOD. make interface for protonation by @shaoqx in #83
- Shaoqz/refactor protonation&clean by @shaoqx in #85
- Chrisjurich/fixing tests by @chrisjurich in #88
- Chrisjurich/remove chem db by @chrisjurich in #89
- Quick Fix by @chrisjurich in #90
- Adding to
dev-tools/by @chrisjurich in #91
New Contributors
- @KleinesMesser made their first contribution in #24
- @so-dopamine made their first contribution in #29
- @mtremblay0817 made their first contribution in #33
Full Changelog: computational_enzymology2...beta_2
Contributors
shaoqx, so-dopamine, and 3 other contributors
Assets 2
EnzyHTP: A High-Throughput Enzyme Modeling Workflow
Automatic computational screening of enzyme variants.
EnzyHTP: A High-Throughput Enzyme Modeling Workflow
EnzyHTP is a computational enzyme screening tool that automates physics-based enzyme molecular modeling.