Search results

Create <code>sugar</code> or <code>carbohydrate</code> selection using GLYCAM nomenclature

Component-Selections

Difficulty-easy

enhancement

help wanted

Status: Open.

#4563 In MDAnalysis/mdanalysis;

· hmacdope opened on Apr 12, 2024

mass unit not listed in 'Base units' table

Component-Docs

Difficulty-easy

Status: Open.

#3944 In MDAnalysis/mdanalysis;

· PicoCentauri opened on Dec 1, 2022

[DOC] doctest MEGA-issue

Component-Docs

Difficulty-easy

good-first-issue

help wanted

Status: Open.

#3925 In MDAnalysis/mdanalysis;

· hmacdope opened on Nov 16, 2022

check_box and triclinic_vectors don't respect dtype

Component-lib

Difficulty-easy

Status: Open.

#3500 In MDAnalysis/mdanalysis;

· richardjgowers opened on Jan 9, 2022

·  

Release 3.0

Fast cythonized inverse array of unsorted, unique indices

Difficulty-easy

GSOC Starter

help wanted

performance

Status: Open.

#3387 In MDAnalysis/mdanalysis;

· lilyminium opened on Aug 15, 2021

Mismatch in groupselections for RMSD between target and reference

Component-Analysis

Difficulty-easy

GSOC Starter

help wanted

Status: Open.

#2797 In MDAnalysis/mdanalysis;

· lilyminium opened on Jun 25, 2020

Setting attributes should have dtype checks

Component-Topology

Difficulty-easy

GSOC Starter

help wanted

outreachy-taskStarter tasks for the Outreachy programStarter tasks for the Outreachy program

Status: Open.

#2764 In MDAnalysis/mdanalysis;

· richardjgowers opened on Jun 16, 2020

MDAnalysis.lib.distances needs rework

Component-Docs

Component-lib

Difficulty-easy

maintainability

Status: Open.

#2046 In MDAnalysis/mdanalysis;

· zemanj opened on Aug 13, 2018

Quick function for converting bool array to frame indices

Component-lib

Component-Readers

Difficulty-easy

performance

Status: Open.

#1982 In MDAnalysis/mdanalysis;

· richardjgowers opened on Jul 12, 2018

align.alignto default behavior can be counterintuitive when mobile and reference come from the same Universe

API

Component-Analysis

Difficulty-easy

GSOC Starter

Priority-Low

proposal

usability

Status: Open.

#1825 In MDAnalysis/mdanalysis;

· mnmelo opened on Mar 12, 2018

Enable Pylint warnings

Difficulty-easy

maintainability

Status: Open.

#1295 In MDAnalysis/mdanalysis;

· kain88-de opened on Apr 9, 2017

unify mobile,ref argument unpacking

Component-Analysis

Component-Selections

Difficulty-easy

enhancement

help wanted

proposal

Status: Open.

#888 In MDAnalysis/mdanalysis;

· kain88-de opened on Jul 6, 2016