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Meiers Dixon

Meiers Dixon

@meiers

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Joined Feb 10, 2024

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www.ncbi.nlm.nih.gov 2
pubs.acs.org 2
www.sciencedirect.com 1
www.researchgate.net 1
userguide.mdanalysis.org 1
www.biorxiv.org 1

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Quick start guide — MDAnalysis User Guide documentation

userguide.mdanalysis.org/stable/examples/quickstart.html

May 27, 2024

1

Switching Sides: How Endogenous Retroviruses Protect Us from Viral Infections

www.ncbi.nlm.nih.gov/pmc/articles/PMC8315955/

Mar 8, 2024

1

Engineering a Lysine-ON Riboswitch for Metabolic Control of Lysine Production in Corynebacterium glutamicum

pubs.acs.org/doi/epdf/10.1021/acssynbio.5b00075

Feb 14, 2024

32

Riboswitches: Structures and Mechanisms

www.ncbi.nlm.nih.gov/pmc/articles/PMC3098680/

Feb 13, 2024

11

Restriction Site - an overview | ScienceDirect Topics

www.sciencedirect.com/topics/immunology-and-microbiology/restriction-site

Feb 13, 2024

1

sb5b00075_si_001.pdf

pubs.acs.org/doi/suppl/10.1021/acssynbio.5b00075/suppl_file/sb5b00075_si_001.pdf

Feb 12, 2024

11

Targeting riboswitches with synthetic small RNAs for metabolic engineering - 2021.06.21.449321.full.pdf

www.biorxiv.org/content/biorxiv/early/2021/06/21/2021.06.21.449321.full.pdf

Feb 11, 2024

2

Ehrlich's Geomicrobiology, Sixth Edition - 2015_Kappler_GeomicrobiologyIron_Ehrlichs_6thEdition.pdf

www.researchgate.net/profile/Andreas-Kappler/publication/282529675_GEOMICROBIOLOGY_OF_IRON/links/59c643c3a6fdccc7191ea1b7/GEOMICROBIOLOGY-OF-IRON.pdf

Feb 10, 2024

52

3

Quick start guide — MDAnalysis User Guide documentation

URL
https://userguide.mdanalysis.org/stable/examples/quickstart.html

Highlights & Notes

The most straightforward way to write to a file that can only hold a single frame is to use the write() method of any AtomGroup. MDAnalysis uses the file extension to determine the output file format. For instance, to only write out the Cα
𝐶
𝛼
atoms to a file in GRO format:

ca = u.select_atoms('name CA')
ca.write('calphas.gro')
Trajectories
The standard way to write out trajectories is to:

Open a trajectory Writer and specify how many atoms a frame will contain

Iterate through the trajectory and write coordinates frame-by-frame with Writer.write()

If you do not use the context manager and the with statement below, you then need to close the trajectory with .close().

For instance, to write out the Cα
𝐶
𝛼
atoms to a trajectory in the XTC format:

ca = u.select_atoms('name CA')
with mda.Writer('calphas.xtc', ca.n_atoms) as w:
for ts in u.trajectory:
w.write(ca)
Analysis
MDAnalysis comes with a diverse set of analysis modules, and the building blocks to implement your own. (Please see a list of analysis tutorials in the user guide.)

The majority of these follow a common interface:

Initialise the analysis with a Universe and other required parameters.

Run th