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How to use Protein Ligand system

Status: Open.

#59 In Liu-group/AutoSolvate;

· debanjansen48 opened on Apr 21, 2025

some problem when installing autosolvate in PASCAL

Status: Open.

#55 In Liu-group/AutoSolvate;

· SangniXun opened on Jul 3, 2024

UNL couldn't be found in amino acid xyz.

Status: Open.

#37 In Liu-group/AutoSolvate;

· SangniXun opened on Jan 24, 2024

test case progression

bugSomething isn't workingSomething isn't working

Status: Open.

#28 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 5, 2023

dataclass update() possible of contamination

Status: Open.

#27 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 5, 2023

.lib files that do not need to be explicitly provided (ex. solvent.lib)

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#26 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 4, 2023

recursion warning in update.py

invalidThis doesn't seem rightThis doesn't seem right

Status: Open.

#25 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 4, 2023

check_mol() in Docker classes need discussion and validation

bugSomething isn't workingSomething isn't working

Status: Open.

#24 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 3, 2023

issue in the tutorial webpage

documentationImprovements or additions to documentationImprovements or additions to documentation

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#23 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 3, 2023

add new import multipledispatch

enhancementNew feature or requestNew feature or request

Status: Open.

#22 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 2, 2023

propose a consistent naming scheme .lib files

enhancementNew feature or requestNew feature or request

Status: Open.

#21 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Jan 2, 2023

output file arrangement

enhancementNew feature or requestNew feature or request

Status: Open.

#19 In Liu-group/AutoSolvate;

· BrandeisPatrick opened on Dec 19, 2022