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環の中にあるかをfragdock::Bondに記録させるべき

Status: Open.

#26 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Jul 12, 2024

Enable to use larger atom grids

Status: Open.

#23 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Feb 20, 2024

log file path of atomgrid-gen

Status: Open.

#22 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Jan 9, 2024

testdata directory

Status: Open.

#12 In akiyamalab/restretto;

· JudeBetow opened on Nov 2, 2023

Treating IntraEnergy wrongly

Status: Open.

#9 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Oct 9, 2023

Explicit error message is needed if output / log files cannot be created

Status: Open.

#7 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Aug 17, 2023

Amide bonds should be classified as non-rotatable bonds

Status: Open.

#6 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Jul 28, 2023

update publication

Status: Open.

#4 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Sep 25, 2022

Update the README.md

Status: Open.

#2 In akiyamalab/restretto;

· keisuke-yanagisawa opened on Jun 11, 2020