Search results

Feature proposal: Adding a ResidenceTime Analysis Routine

Component-Analysis

enhancement

MDAKitsuitable for MDAKitsuitable for MDAKit

proposal

Status: Open.

#4868 In MDAnalysis/mdanalysis;

· mattiafelice-palermo opened on Dec 27, 2024

Change API docs logo?

Component-Docs

proposal

Status: Open.

#4430 In MDAnalysis/mdanalysis;

· IAlibay opened on Jan 16, 2024

propagate distance calculation backend keyword to analysis methods

Component-Analysis

performance

proposal

Status: Open.

#3946 In MDAnalysis/mdanalysis;

· orbeckst opened on Dec 2, 2022

Add trajectory appending to Universe

Component-Aux

Component-Core

Component-Readers

enhancement

Format-ChainReaderChainReader virtual trajectory readerChainReader virtual trajectory reader

proposal

Status: Open.

#3875 In MDAnalysis/mdanalysis;

· orbeckst opened on Oct 21, 2022

Favour <code>Aux</code> over <code>ts.data</code> or possibly unify the two?

Component-Aux

proposal

Status: Open.

#3778 In MDAnalysis/mdanalysis;

· hmacdope opened on Aug 19, 2022

Long-term solution for import sorting

maintainability

proposal

Status: Open.

#3656 In MDAnalysis/mdanalysis;

· PicoCentauri opened on Apr 26, 2022

Type Hints for Analysis Classes

Component-Analysis

GSoCGSoC projectGSoC project

interoperabilityimportant for making MDAnalysis work with other packages and toolsimportant for making MDAnalysis work with other packages and tools

proposal

Status: Open.

#3463 In MDAnalysis/mdanalysis;

· PicoCentauri opened on Nov 18, 2021

MDAnalysis based reporters for OpenMM

GSoCGSoC projectGSoC project

MDAKitsuitable for MDAKitsuitable for MDAKit

proposal

Status: Open.

#3401 In MDAnalysis/mdanalysis;

· IAlibay opened on Aug 23, 2021

Implement <code>byfragment</code>-like selection.

Component-Selections

proposal

Status: Open.

#3373 In MDAnalysis/mdanalysis;

· IAlibay opened on Jul 29, 2021

Implement tagged smarts matching

proposal

Status: Open.

#3348 In MDAnalysis/mdanalysis;

· lilyminium opened on Jun 4, 2021

Proposal: Add support for @&lt;TRIPOS&gt;CRYSIN MOL2 records

Component-Readers

Format-MOL2

help wanted

proposal

Status: Open.

#3341 In MDAnalysis/mdanalysis;

· IAlibay opened on May 27, 2021

Ensemble of Universes

API

Component-Analysis

Component-Core

proposal

Status: Open.

#2663 In MDAnalysis/mdanalysis;

· lilyminium opened on Apr 20, 2020