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EnzyHTP 2 New Features
#188 opened Sep 20, 2024 by shaoqx
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68 Open 11 Closed
68 Open 11 Closed
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Issues list

EnzyHTP 2 New Features TODO A todo list
#188 opened Sep 20, 2024 by shaoqx
12 of 27 tasks
TER tags left in PDB files after removing solvent bug Something isn't working
#186 opened Sep 5, 2024 by SwordJack
@shaoqx
A bug caused by anchoring the residue cap that is replacing a PRO bug Something isn't working
#185 opened Aug 30, 2024 by shaoqx
1
Better infrastructure for updating Structure() objects TODO A todo list
#183 opened Jun 6, 2024 by chrisjurich
1
PDBParser is unable to parse the pdb file from CASP competition
#176 opened Apr 6, 2024 by Xinchunran
1
Need to seperate charge and connectivity to another module
#175 opened Mar 26, 2024 by shaoqx
Lone pair electronic structure dipole calculation
#173 opened Mar 19, 2024 by Xinchunran
AA residue protonation issue causing MD to halt
#170 opened Feb 27, 2024 by KleinesMesser
Resolve discussion in PR #162
#164 opened Feb 3, 2024 by chrisjurich
An inappropriate hard-coded string in the enzy_htp/chemical/enzyme_commission.py. bug Something isn't working help wanted Extra attention is needed refactoring issues related to refactoring of the code
#158 opened Jan 17, 2024 by SwordJack
@chrisjurich
A bug in the preparation.protonate._fix_pybel_output and its potential cause bug Something isn't working preparation functions related to the preparation module refactoring issues related to refactoring of the code
#156 opened Jan 14, 2024 by SwordJack
1
@SwordJack
1
Have cluster plugins placed else where
#154 opened Jan 12, 2024 by shaoqx
1
These new classes generally need better docstrings! It is really unclear what each one is actually doing. Add a little bit of detail about what each function/method is doing under the hood.
#153 opened Jan 12, 2024 by shaoqx
New Shrapnel design TODO A todo list
#150 opened Dec 29, 2023 by shaoqx
@shaoqx
3
Resolve discussion in PR #147 TODO A todo list
#148 opened Dec 24, 2023 by shaoqx
@shaoqx @chrisjurich
2
Add support for DNA/RNA
#146 opened Dec 20, 2023 by shaoqx
1
A potential bug in run_tleap() bug Something isn't working
#144 opened Dec 19, 2023 by shaoqx
@shaoqx
How should Env manager respond to optional exec
#143 opened Dec 15, 2023 by shaoqx
1
Could structure_io just be above _interface?
#142 opened Dec 15, 2023 by shaoqx
@shaoqx
1
Issue about the signal of deletion/insertion in mutation flag
#141 opened Dec 8, 2023 by Xinchunran
Issue related to plum-dispatch version
#139 opened Nov 29, 2023 by shaoqx
1
The issue of metal contained in the single-point QM cluster calculation
#138 opened Nov 10, 2023 by SangXH
Address the remaining design thoughts in Mol2Parser PR #133 TODO A todo list
#135 opened Oct 17, 2023 by shaoqx
@shaoqx
Make a google form for ARMer plugins
#132 opened Sep 28, 2023 by shaoqx
1
Add bond order support in Atom().connect
#130 opened Sep 27, 2023 by shaoqx
1
@shaoqx
ProTip! Find all open issues with in progress development work with linked:pr.