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MDAnalysis / UserGuide

User Guide for MDAnalysis
https://userguide.mdanalysis.org
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Writing out AtomGroups #8

Open lilyminium opened 5 years ago

lilyminium commented 5 years ago

Story: As a user, I want to write out select representative frames to a PDB file, so that I can mimic an ensemble of NMR structures.

Story: As a GROMACS user, I want to define groups in a GROMACS index file, so that I can use them in further GROMACS analysis.

Acceptance criteria:

orbeckst commented 5 years ago

These are also FAQs...

lilyminium commented 5 years ago

These are also FAQs...

An examples gallery of notebooks, or collection of code snippets / nifty command-line tools, might be a more organised way to handle usage questions. This frees up the FAQ for more general concerns such as "Why is MDAnalysis structured the way it is?" and "how can I contribute to MDAnalysis?" and "why do we conda install mdanalysis lower case but import MDAnalysis mixed case?" What do you think?

orbeckst commented 5 years ago

All yes – I only mentioned the FAQ as an initial (re)source for questions and answers. Also, when in the FAQ it means that typical >= 1 person had the problem.

On Sep 9, 2019, at 7:59 AM, Lily Wang notifications@github.com wrote:

These are also FAQs...

An examples gallery of notebooks, or collection of code snippets / nifty command-line tools, might be a more organised way to handle usage questions. This frees up the FAQ for more general concerns such as "Why is MDAnalysis structured the way it is?" and "how can I contribute to MDAnalysis?" and "why do we conda install mdanalysis lower case but import MDAnalysis mixed case?" What do you think?

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